Piperazines

Organic heterocyclic compounds that consist of a six-membered ring with four carbon atoms and two nitrogen atoms at opposite positions in the ring.

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16 – 30 of 4,122 results

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1-(2,4-Difluorophenyl)piperazine, 99%, Thermo Scientific™

CAS: 115761-79-0 Molecular Formula: C10H12F2N2 Molecular Weight (g/mol): 198.217 MDL Number: MFCD00082588 InChI Key: CMCSPBOWEYUGHB-UHFFFAOYSA-N PubChem CID: 2734637 IUPAC Name: 1-(2,4-difluorophenyl)piperazine SMILES: C1CN(CCN1)C2=C(C=C(C=C2)F)F

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PubChem CID	2734637
CAS	115761-79-0
Molecular Weight (g/mol)	198.217
MDL Number	MFCD00082588
SMILES	C1CN(CCN1)C2=C(C=C(C=C2)F)F
IUPAC Name	1-(2,4-difluorophenyl)piperazine
InChI Key	CMCSPBOWEYUGHB-UHFFFAOYSA-N
Molecular Formula	C10H12F2N2

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4-(1-Piperazinyl)aniline, 95%

CAS: 67455-41-8 Molecular Formula: C10H15N3 Molecular Weight (g/mol): 177.25 MDL Number: MFCD01365906 InChI Key: VAVOYRCCWLRTMS-UHFFFAOYSA-N Synonym: 4-piperazin-1-yl aniline,1-4-aminophenyl piperazine,4-piperazinoaniline,4-piperazin-1-yl-phenylamine,4-1-piperazinyl aniline,benzenamine,4-1-piperazinyl,4-piperazinylphenylamine,benzenamine, 4-1-piperazinyl,4-piperazin-1-ylphenylamine,1-p-aminophenyl piperazine PubChem CID: 422925 IUPAC Name: 4-piperazin-1-ylaniline SMILES: NC1=CC=C(C=C1)N1CCNCC1

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PubChem CID	422925
CAS	67455-41-8
Molecular Weight (g/mol)	177.25
MDL Number	MFCD01365906
SMILES	NC1=CC=C(C=C1)N1CCNCC1
Synonym	4-piperazin-1-yl aniline,1-4-aminophenyl piperazine,4-piperazinoaniline,4-piperazin-1-yl-phenylamine,4-1-piperazinyl aniline,benzenamine,4-1-piperazinyl,4-piperazinylphenylamine,benzenamine, 4-1-piperazinyl,4-piperazin-1-ylphenylamine,1-p-aminophenyl piperazine
IUPAC Name	4-piperazin-1-ylaniline
InChI Key	VAVOYRCCWLRTMS-UHFFFAOYSA-N
Molecular Formula	C10H15N3

2-Methyl-4-piperazinoquinoline, 97%, Thermo Scientific™

CAS: 82241-22-3 Molecular Formula: C14H17N3 Molecular Weight (g/mol): 227.31 MDL Number: MFCD01935745 InChI Key: XYBLCORUTWKJOI-UHFFFAOYSA-N Synonym: 2-methyl-4-piperazinoquinoline,2-methyl-4-piperazin-1-yl quinoline,quinoline, 2-methyl-4-1-piperazinyl,2-methyl-4-quinolyl piperazine,2-methyl-4-piperazin-1-yl-quinoline,maybridge1_006771,chemdivam_001084,cbmicro_045139,cambridge id 6095001,tos-bb-0571 PubChem CID: 702318 SMILES: CC1=CC(N2CCNCC2)=C2C=CC=CC2=N1

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PubChem CID	702318
CAS	82241-22-3
Molecular Weight (g/mol)	227.31
MDL Number	MFCD01935745
SMILES	CC1=CC(N2CCNCC2)=C2C=CC=CC2=N1
Synonym	2-methyl-4-piperazinoquinoline,2-methyl-4-piperazin-1-yl quinoline,quinoline, 2-methyl-4-1-piperazinyl,2-methyl-4-quinolyl piperazine,2-methyl-4-piperazin-1-yl-quinoline,maybridge1_006771,chemdivam_001084,cbmicro_045139,cambridge id 6095001,tos-bb-0571
InChI Key	XYBLCORUTWKJOI-UHFFFAOYSA-N
Molecular Formula	C14H17N3

tert-Butyl 4-[5-(hydroxymethyl)pyrid-2-yl]piperazine-1-carboxylate, ≥97%, Thermo Scientific™

CAS: 857284-20-9 Molecular Formula: C15H23N3O3 Molecular Weight (g/mol): 293.367 MDL Number: MFCD08060526 InChI Key: QKCHWJYIPFBVRD-UHFFFAOYSA-N Synonym: tert-butyl 4-5-hydroxymethyl pyrid-2-yl piperazine-1-carboxylate,tert-butyl 4-5-hydroxymethyl pyridin-2-yl piperazine-1-carboxylate,1-piperazinecarboxylicacid, 4-5-hydroxymethyl-2-pyridinyl-, 1,1-dimethylethyl ester,1-piperazinecarboxylicacid,4-5-hydroxymethyl-2-pyridinyl-,1,1-dimethylethyl ester PubChem CID: 7537576 IUPAC Name: tert-butyl 4-[5-(hydroxymethyl)pyridin-2-yl]piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)CO

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PubChem CID	7537576
CAS	857284-20-9
Molecular Weight (g/mol)	293.367
MDL Number	MFCD08060526
SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)CO
Synonym	tert-butyl 4-5-hydroxymethyl pyrid-2-yl piperazine-1-carboxylate,tert-butyl 4-5-hydroxymethyl pyridin-2-yl piperazine-1-carboxylate,1-piperazinecarboxylicacid, 4-5-hydroxymethyl-2-pyridinyl-, 1,1-dimethylethyl ester,1-piperazinecarboxylicacid,4-5-hydroxymethyl-2-pyridinyl-,1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-[5-(hydroxymethyl)pyridin-2-yl]piperazine-1-carboxylate
InChI Key	QKCHWJYIPFBVRD-UHFFFAOYSA-N
Molecular Formula	C15H23N3O3

1-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine, 97%, Thermo Scientific™

CAS: 58315-38-1 Molecular Formula: C11H12F3N3O2 Molecular Weight (g/mol): 275.231 MDL Number: MFCD00052613 InChI Key: YOBUPGXTLFRIJD-UHFFFAOYSA-N Synonym: 1-2-nitro-4-trifluoromethyl phenyl piperazine,1-2-nitro-4-trifluoromethylphenyl-piperazine,n-2-nitro-4-trifluoromethyl phenyl piperazine,piperazine, 1-2-nitro-4-trifluoromethyl phenyl,2-nitro-4-trifluoromethyl phenyl piperazine,1-2-nitro-4-trifluoromethylphenyl piperazine,1-2-nitro-4-trifluoromethyl-phenyl-piperazine,piperazine,1-2-nitro-4-trifluoromethyl phenyl PubChem CID: 2771407 IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine SMILES: C1CN(CCN1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

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PubChem CID	2771407
CAS	58315-38-1
Molecular Weight (g/mol)	275.231
MDL Number	MFCD00052613
SMILES	C1CN(CCN1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Synonym	1-2-nitro-4-trifluoromethyl phenyl piperazine,1-2-nitro-4-trifluoromethylphenyl-piperazine,n-2-nitro-4-trifluoromethyl phenyl piperazine,piperazine, 1-2-nitro-4-trifluoromethyl phenyl,2-nitro-4-trifluoromethyl phenyl piperazine,1-2-nitro-4-trifluoromethylphenyl piperazine,1-2-nitro-4-trifluoromethyl-phenyl-piperazine,piperazine,1-2-nitro-4-trifluoromethyl phenyl
IUPAC Name	1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
InChI Key	YOBUPGXTLFRIJD-UHFFFAOYSA-N
Molecular Formula	C11H12F3N3O2

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2-(1-Piperazinyl)pyrimidine, 98+%

CAS: 20980-22-7 Molecular Formula: C₈H₁₂N₄ Molecular Weight (g/mol): 164.21 MDL Number: MFCD00040742 InChI Key: MRBFGEHILMYPTF-UHFFFAOYSA-N Synonym: 2-1-piperazinyl pyrimidine,1-2-pyrimidyl piperazine,2-piperazin-1-yl pyrimidine,1-2-pyrimidinyl piperazine,2-piperazinopyrimidine,campiron,pyrimidine, 2-1-piperazinyl,campirone,kampirone,2-piperazin-1-yl-pyrimidine PubChem CID: 88747 IUPAC Name: 2-piperazin-1-ylpyrimidine SMILES: C1CN(CCN1)C2=NC=CC=N2

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PubChem CID	88747
CAS	20980-22-7
Molecular Weight (g/mol)	164.21
MDL Number	MFCD00040742
SMILES	C1CN(CCN1)C2=NC=CC=N2
Synonym	2-1-piperazinyl pyrimidine,1-2-pyrimidyl piperazine,2-piperazin-1-yl pyrimidine,1-2-pyrimidinyl piperazine,2-piperazinopyrimidine,campiron,pyrimidine, 2-1-piperazinyl,campirone,kampirone,2-piperazin-1-yl-pyrimidine
IUPAC Name	2-piperazin-1-ylpyrimidine
InChI Key	MRBFGEHILMYPTF-UHFFFAOYSA-N
Molecular Formula	C₈H₁₂N₄

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(1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane, 97%

CAS: 113451-59-5 Molecular Formula: C10H18N2O2 Molecular Weight (g/mol): 198.266 MDL Number: MFCD01569250 InChI Key: UXAWXZDXVOYLII-YUMQZZPRSA-N Synonym: 1s,4s-2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-tert-butyl 2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-n-tert-butoxycarbonyl-2,5-diazabicyclo 2.2.1 heptane,1s,4s---2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptan-2-carboxylate,1s,4s-2,5-diaza-bicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,1s,4s-n-boc-2,5-diazabicyclo 2.2.1 heptane,1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,tert-butyl 1s,4s---2,5-diazabicyclo 2.2.1 heptane-2-carboxylate PubChem CID: 11521263 IUPAC Name: tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate SMILES: CC(C)(C)OC(=O)N1CC2CC1CN2

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PubChem CID	11521263
CAS	113451-59-5
Molecular Weight (g/mol)	198.266
MDL Number	MFCD01569250
SMILES	CC(C)(C)OC(=O)N1CC2CC1CN2
Synonym	1s,4s-2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-tert-butyl 2,5-diazabicyclo 2.2.1 heptane-2-carboxylate,1s,4s-n-tert-butoxycarbonyl-2,5-diazabicyclo 2.2.1 heptane,1s,4s---2-boc-2,5-diazabicyclo 2.2.1 heptane,tert-butyl 1s,4s-2,5-diazabicyclo 2.2.1 heptan-2-carboxylate,1s,4s-2,5-diaza-bicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,1s,4s-n-boc-2,5-diazabicyclo 2.2.1 heptane,1s,4s-2,5-diazabicyclo 2.2.1 heptane-2-carboxylic acid tert-butyl ester,tert-butyl 1s,4s---2,5-diazabicyclo 2.2.1 heptane-2-carboxylate
IUPAC Name	tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
InChI Key	UXAWXZDXVOYLII-YUMQZZPRSA-N
Molecular Formula	C10H18N2O2

2-(4-Methylpiperazino)benzaldehyde, ≥95%, Thermo Scientific™

CAS: 85803-62-9 Molecular Formula: C12H16N2O Molecular Weight (g/mol): 204.273 MDL Number: MFCD01313808 InChI Key: GSRYZPWIWYYROI-UHFFFAOYSA-N Synonym: 2-4-methylpiperazin-1-yl benzaldehyde,2-4-methylpiperazino benzaldehyde,benzaldehyde,2-4-methyl-1-piperazinyl,4-methylpiperazin-1-ylbenzaldehyde,2-4-methylpiperazinyl benzaldehyde,2-4-methylpiperazinyl-benzaldehyde,2-4-methyl-1-piperazinyl benzaldehyde,2-4methyl-1-piperazinyl-benzaldehyde,2-4-methyl-1-piperazinyl-benzaldehyde,2-4-methylpiperazin-1-yl-benzaldehyde PubChem CID: 2795566 IUPAC Name: 2-(4-methylpiperazin-1-yl)benzaldehyde SMILES: CN1CCN(CC1)C2=CC=CC=C2C=O

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PubChem CID	2795566
CAS	85803-62-9
Molecular Weight (g/mol)	204.273
MDL Number	MFCD01313808
SMILES	CN1CCN(CC1)C2=CC=CC=C2C=O
Synonym	2-4-methylpiperazin-1-yl benzaldehyde,2-4-methylpiperazino benzaldehyde,benzaldehyde,2-4-methyl-1-piperazinyl,4-methylpiperazin-1-ylbenzaldehyde,2-4-methylpiperazinyl benzaldehyde,2-4-methylpiperazinyl-benzaldehyde,2-4-methyl-1-piperazinyl benzaldehyde,2-4methyl-1-piperazinyl-benzaldehyde,2-4-methyl-1-piperazinyl-benzaldehyde,2-4-methylpiperazin-1-yl-benzaldehyde
IUPAC Name	2-(4-methylpiperazin-1-yl)benzaldehyde
InChI Key	GSRYZPWIWYYROI-UHFFFAOYSA-N
Molecular Formula	C12H16N2O

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1,4-Diazabicyclo[2.2.2]octane, 97%

CAS: 280-57-9 Molecular Formula: C₆H₁₂N₂ Molecular Weight (g/mol): 112.17 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2

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PubChem CID	9237
CAS	280-57-9
Molecular Weight (g/mol)	112.17
MDL Number	MFCD00006689
SMILES	C1CN2CCN1CC2
Synonym	1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25
IUPAC Name	1,4-diazabicyclo[2.2.2]octane
InChI Key	IMNIMPAHZVJRPE-UHFFFAOYSA-N
Molecular Formula	C₆H₁₂N₂

1-(3-Chlorophenyl)piperazine monohydrochloride, 97%, Thermo Scientific Chemicals

CAS: 13078-15-4 Molecular Formula: C10H14Cl2N2 Molecular Weight (g/mol): 233.14 MDL Number: MFCD00039032,MFCD00012764 InChI Key: MHXPYWFZULXYHT-UHFFFAOYSA-N Synonym: 1-3-chlorophenyl piperazine hydrochloride,m-cpp hydrochloride,1-3-chlorophenyl piperazine monohydrochloride,unii-7im2gs7ilv,1-3-chlorophenyl piperazinium chloride,piperazine, 1-3-chlorophenyl-, monohydrochloride,1-m-chlorophenyl piperazine hcl,m-chlorophenylpiperazine hydrochloride,7im2gs7ilv,1-m-chlorophenyl piperazine hydrochloride PubChem CID: 25681 IUPAC Name: hydrogen 1-(3-chlorophenyl)piperazine chloride SMILES: [H+].[Cl-].ClC1=CC=CC(=C1)N1CCNCC1

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PubChem CID	25681
CAS	13078-15-4
Molecular Weight (g/mol)	233.14
MDL Number	MFCD00039032,MFCD00012764
SMILES	[H+].[Cl-].ClC1=CC=CC(=C1)N1CCNCC1
Synonym	1-3-chlorophenyl piperazine hydrochloride,m-cpp hydrochloride,1-3-chlorophenyl piperazine monohydrochloride,unii-7im2gs7ilv,1-3-chlorophenyl piperazinium chloride,piperazine, 1-3-chlorophenyl-, monohydrochloride,1-m-chlorophenyl piperazine hcl,m-chlorophenylpiperazine hydrochloride,7im2gs7ilv,1-m-chlorophenyl piperazine hydrochloride
IUPAC Name	hydrogen 1-(3-chlorophenyl)piperazine chloride
InChI Key	MHXPYWFZULXYHT-UHFFFAOYSA-N
Molecular Formula	C10H14Cl2N2

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1-(2-Phenylethyl)piperazine, 98%

CAS: 5321-49-3 Molecular Formula: C12H18N2 Molecular Weight (g/mol): 190.29 MDL Number: MFCD00040740 InChI Key: LKUAPSRIYZLAAO-UHFFFAOYSA-N Synonym: 1-2-phenylethyl piperazine,1-phenethylpiperazine,1-phenethyl-piperazine,1-2-phenylethyl-piperazine,1-phenylethylpiperazine,1-phenethyl piperazine,n-2-phenylethyl piperazine,piperazine, 1-2-phenylethyl,2-phenylethyl piperazine,l-phenethylpiperazine PubChem CID: 79214 IUPAC Name: 1-(2-phenylethyl)piperazine SMILES: C1CN(CCN1)CCC2=CC=CC=C2

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PubChem CID	79214
CAS	5321-49-3
Molecular Weight (g/mol)	190.29
MDL Number	MFCD00040740
SMILES	C1CN(CCN1)CCC2=CC=CC=C2
Synonym	1-2-phenylethyl piperazine,1-phenethylpiperazine,1-phenethyl-piperazine,1-2-phenylethyl-piperazine,1-phenylethylpiperazine,1-phenethyl piperazine,n-2-phenylethyl piperazine,piperazine, 1-2-phenylethyl,2-phenylethyl piperazine,l-phenethylpiperazine
IUPAC Name	1-(2-phenylethyl)piperazine
InChI Key	LKUAPSRIYZLAAO-UHFFFAOYSA-N
Molecular Formula	C12H18N2

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1-Hydroxyethylethoxypiperazine, 95%

CAS: 13349-82-1 Molecular Formula: C₈H₁₈N₂O₂ Molecular Weight (g/mol): 174.24 MDL Number: MFCD00074931 InChI Key: FLNQAPQQAZVRDA-UHFFFAOYSA-N Synonym: 1-2-2-hydroxyethoxy ethyl piperazine,2-2-piperazin-1-yl ethoxy ethanol,2-2-piperazin-1-ylethoxy ethanol,2-2-1-piperazinyl ethoxy ethanol,1-2-2-hydroxyethoxyl-ethyl piperazine,1-2-2-hydroxyethoxy-ethyl-piperazine,ethanol, 2-2-1-piperazinyl ethoxy PubChem CID: 139436 IUPAC Name: 2-(2-piperazin-1-ylethoxy)ethanol SMILES: C1CN(CCN1)CCOCCO

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PubChem CID	139436
CAS	13349-82-1
Molecular Weight (g/mol)	174.24
MDL Number	MFCD00074931
SMILES	C1CN(CCN1)CCOCCO
Synonym	1-2-2-hydroxyethoxy ethyl piperazine,2-2-piperazin-1-yl ethoxy ethanol,2-2-piperazin-1-ylethoxy ethanol,2-2-1-piperazinyl ethoxy ethanol,1-2-2-hydroxyethoxyl-ethyl piperazine,1-2-2-hydroxyethoxy-ethyl-piperazine,ethanol, 2-2-1-piperazinyl ethoxy
IUPAC Name	2-(2-piperazin-1-ylethoxy)ethanol
InChI Key	FLNQAPQQAZVRDA-UHFFFAOYSA-N
Molecular Formula	C₈H₁₈N₂O₂

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1-(2-Hydroxyethyl)piperazine, 98+%

CAS: 103-76-4 Molecular Formula: C6H14N2O Molecular Weight (g/mol): 130.191 MDL Number: MFCD00005970 InChI Key: WFCSWCVEJLETKA-UHFFFAOYSA-N Synonym: n-2-hydroxyethyl piperazine,1-piperazineethanol,1-2-hydroxyethyl piperazine,hydroxyethylpiperazine,2-1-piperazinyl ethanol,2-hydroxyethylpiperazine,2-piperazinoethanol,2-piperazin-1-yl ethan-1-ol,1-piperazinethanol,4-2-hydroxyethyl piperazine PubChem CID: 7677 IUPAC Name: 2-piperazin-1-ylethanol SMILES: C1CN(CCN1)CCO

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Specifications

PubChem CID	7677
CAS	103-76-4
Molecular Weight (g/mol)	130.191
MDL Number	MFCD00005970
SMILES	C1CN(CCN1)CCO
Synonym	n-2-hydroxyethyl piperazine,1-piperazineethanol,1-2-hydroxyethyl piperazine,hydroxyethylpiperazine,2-1-piperazinyl ethanol,2-hydroxyethylpiperazine,2-piperazinoethanol,2-piperazin-1-yl ethan-1-ol,1-piperazinethanol,4-2-hydroxyethyl piperazine
IUPAC Name	2-piperazin-1-ylethanol
InChI Key	WFCSWCVEJLETKA-UHFFFAOYSA-N
Molecular Formula	C6H14N2O

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(S)-(-)-1-Boc-3-methylpiperazine, 98%

CAS: 147081-29-6 Molecular Formula: C10H20N2O2 Molecular Weight (g/mol): 200.282 MDL Number: MFCD02683204 InChI Key: FMLPQHJYUZTHQS-QMMMGPOBSA-N Synonym: s-4-n-boc-2-methylpiperazine,s-4-n-boc-2-methyl piperazine,s-tert-butyl 3-methylpiperazine-1-carboxylate,s-4-boc-2-methylpiperazine,s-1-boc-3-methyl-piperazine,tert-butyl 3s-3-methylpiperazine-1-carboxylate,s-1-boc-3-methylpiperazine,s-4bocmp,4-boc-2-s-methyl-piperazine,s-1-n-boc-3-methylpiperazine PubChem CID: 7023035 IUPAC Name: tert-butyl (3S)-3-methylpiperazine-1-carboxylate SMILES: CC1CN(CCN1)C(=O)OC(C)(C)C

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Specifications

PubChem CID	7023035
CAS	147081-29-6
Molecular Weight (g/mol)	200.282
MDL Number	MFCD02683204
SMILES	CC1CN(CCN1)C(=O)OC(C)(C)C
Synonym	s-4-n-boc-2-methylpiperazine,s-4-n-boc-2-methyl piperazine,s-tert-butyl 3-methylpiperazine-1-carboxylate,s-4-boc-2-methylpiperazine,s-1-boc-3-methyl-piperazine,tert-butyl 3s-3-methylpiperazine-1-carboxylate,s-1-boc-3-methylpiperazine,s-4bocmp,4-boc-2-s-methyl-piperazine,s-1-n-boc-3-methylpiperazine
IUPAC Name	tert-butyl (3S)-3-methylpiperazine-1-carboxylate
InChI Key	FMLPQHJYUZTHQS-QMMMGPOBSA-N
Molecular Formula	C10H20N2O2

Ketoconazole, 98%

CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 534.452 MDL Number: MFCD00058579 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

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Specifications

PubChem CID	76973198
CAS	65277-42-1
Molecular Weight (g/mol)	534.452
MDL Number	MFCD00058579
SMILES	CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
Synonym	ketoconazole
IUPAC Name	2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChI Key	XMAYWYJOQHXEEK-SIULDFEJSA-N
Molecular Formula	C26H28Cl2N4O4

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