Organoheterocyclic compounds
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4-[3-(Trifluoromethyl)phenyl]-4-piperidinol, 97%, Thermo Scientific™
CAS: 2249-28-7 Molecular Formula: C12H14F3NO Molecular Weight (g/mol): 245.245 MDL Number: MFCD00044832 InChI Key: ILKPZCKFWLTEBQ-UHFFFAOYSA-N Synonym: 4-3-trifluoromethyl phenyl-4-piperidinol,4-3-trifluoromethyl phenyl piperidin-4-ol,4-piperidinol, 4-3-trifluoromethyl phenyl,4-alpha,alpha,alpha-trifluoro-m-tolyl piperidin-4-ol,4-3-trifuoromethyl phenyl-4-piperidinol,4-3-trifluoromethylphenyl-4-piperidinol,4-pound 3-trifluoromethylphenyl-4-piperidinol,4-3-trifluoromethylphenyl-4'-piperidinol,4-3-trifluoromethyl phenyl-4'-piperidinol PubChem CID: 75255 IUPAC Name: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol SMILES: C1CNCCC1(C2=CC(=CC=C2)C(F)(F)F)O
| PubChem CID | 75255 |
|---|---|
| CAS | 2249-28-7 |
| Molecular Weight (g/mol) | 245.245 |
| MDL Number | MFCD00044832 |
| SMILES | C1CNCCC1(C2=CC(=CC=C2)C(F)(F)F)O |
| Synonym | 4-3-trifluoromethyl phenyl-4-piperidinol,4-3-trifluoromethyl phenyl piperidin-4-ol,4-piperidinol, 4-3-trifluoromethyl phenyl,4-alpha,alpha,alpha-trifluoro-m-tolyl piperidin-4-ol,4-3-trifuoromethyl phenyl-4-piperidinol,4-3-trifluoromethylphenyl-4-piperidinol,4-pound 3-trifluoromethylphenyl-4-piperidinol,4-3-trifluoromethylphenyl-4'-piperidinol,4-3-trifluoromethyl phenyl-4'-piperidinol |
| IUPAC Name | 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol |
| InChI Key | ILKPZCKFWLTEBQ-UHFFFAOYSA-N |
| Molecular Formula | C12H14F3NO |
3-Piperidinecarboxylic acid, 97%, Thermo Scientific™
CAS: 498-95-3 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.16 MDL Number: MFCD00005992 MFCD01630787 InChI Key: XJLSEXAGTJCILF-UHFFFAOYSA-N Synonym: nipecotic acid,3-piperidinecarboxylic acid,hexahydronicotinic acid,+/--nipecotic acid,h-dl-nip-oh,+/--3-piperidine carboxylic acid,dl-piperidine-3-carboxylic acid,nipecotic,h-nip-oh,3-carboxypiperidine PubChem CID: 4498 ChEBI: CHEBI:116931 IUPAC Name: piperidine-3-carboxylic acid SMILES: OC(=O)C1CCCNC1
| PubChem CID | 4498 |
|---|---|
| CAS | 498-95-3 |
| Molecular Weight (g/mol) | 129.16 |
| ChEBI | CHEBI:116931 |
| MDL Number | MFCD00005992 MFCD01630787 |
| SMILES | OC(=O)C1CCCNC1 |
| Synonym | nipecotic acid,3-piperidinecarboxylic acid,hexahydronicotinic acid,+/--nipecotic acid,h-dl-nip-oh,+/--3-piperidine carboxylic acid,dl-piperidine-3-carboxylic acid,nipecotic,h-nip-oh,3-carboxypiperidine |
| IUPAC Name | piperidine-3-carboxylic acid |
| InChI Key | XJLSEXAGTJCILF-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO2 |
(1S,4R)-2-Azabicyclo[2.2.1]heptan-3-one, 95%, 98% ee, Thermo Scientific™
CAS: 134003-03-5 InChI Key: UIVLZOWDXYXITH-UHNVWZDZSA-N Synonym: 1s,4r-2-azabicyclo 2.2.1 heptan-3-one,2-azabicyclo 2.2.1 heptan-3-one, 1s,4r,1s,4r-2-aza-bicyclo 2.2.1 heptan-3-one,1beta,4beta-2-azabicyclo 2.2.1 heptane-3-one PubChem CID: 2734523 IUPAC Name: (1R,4S)-3-azabicyclo[2.2.1]heptan-2-one SMILES: C1CC2CC1C(=O)N2
| PubChem CID | 2734523 |
|---|---|
| CAS | 134003-03-5 |
| SMILES | C1CC2CC1C(=O)N2 |
| Synonym | 1s,4r-2-azabicyclo 2.2.1 heptan-3-one,2-azabicyclo 2.2.1 heptan-3-one, 1s,4r,1s,4r-2-aza-bicyclo 2.2.1 heptan-3-one,1beta,4beta-2-azabicyclo 2.2.1 heptane-3-one |
| IUPAC Name | (1R,4S)-3-azabicyclo[2.2.1]heptan-2-one |
| InChI Key | UIVLZOWDXYXITH-UHNVWZDZSA-N |
1-Boc-4-piperidinemethanol, 97%, Thermo Scientific Chemicals
CAS: 123855-51-6 Molecular Formula: C11H21NO3 Molecular Weight (g/mol): 215.29 MDL Number: MFCD02094488 InChI Key: CTEDVGRUGMPBHE-UHFFFAOYSA-N Synonym: n-boc-4-piperidinemethanol,tert-butyl 4-hydroxymethyl piperidine-1-carboxylate,1-boc-4-piperidinemethanol,n-boc-4-hydroxymethylpiperidine,tert-butyl 4-hydroxymethyl-1-piperidinecarboxylate,1-tert-butoxycarbonyl-4-hydroxymethyl piperidine,1-n-boc-4-hydroxymethyl-piperidine,n-boc-4-hydroxylmethylene-piperidine,1-tert-butoxycarbonyl-4-piperidinemethanol,n-tert-butoxycarbonyl-4-piperidinemethanol PubChem CID: 2764081 IUPAC Name: tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CO)CC1
| PubChem CID | 2764081 |
|---|---|
| CAS | 123855-51-6 |
| Molecular Weight (g/mol) | 215.29 |
| MDL Number | MFCD02094488 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CO)CC1 |
| Synonym | n-boc-4-piperidinemethanol,tert-butyl 4-hydroxymethyl piperidine-1-carboxylate,1-boc-4-piperidinemethanol,n-boc-4-hydroxymethylpiperidine,tert-butyl 4-hydroxymethyl-1-piperidinecarboxylate,1-tert-butoxycarbonyl-4-hydroxymethyl piperidine,1-n-boc-4-hydroxymethyl-piperidine,n-boc-4-hydroxylmethylene-piperidine,1-tert-butoxycarbonyl-4-piperidinemethanol,n-tert-butoxycarbonyl-4-piperidinemethanol |
| IUPAC Name | tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate |
| InChI Key | CTEDVGRUGMPBHE-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO3 |
4-(4-chlorophenyl)piperidin-4-ol, 97%, Thermo Scientific™
CAS: 39512-49-7 Molecular Formula: C11H15Cl2NO Molecular Weight (g/mol): 248.15 MDL Number: MFCD00006001 InChI Key: PXAJMBHRLGKPQV-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl piperidin-4-ol,4-4-chlorophenyl-4-hydroxypiperidine,4-4-chlorophenyl-4-piperidinol,4-chlorophenyl-4-hydroxylpiperidine,4-p-chlorophenyl-4-hydroxypiperidine,4-p-chlorophenyl piperidin-4-ol,4-piperidinol, 4-4-chlorophenyl,haloperidol metabolite i,unii-und92fks0w,4-hydroxy-4-4-chlorophenyl piperidine PubChem CID: 38282 IUPAC Name: 4-(4-chlorophenyl)piperidin-4-ol SMILES: [H+].[Cl-].OC1(CCNCC1)C1=CC=C(Cl)C=C1
| PubChem CID | 38282 |
|---|---|
| CAS | 39512-49-7 |
| Molecular Weight (g/mol) | 248.15 |
| MDL Number | MFCD00006001 |
| SMILES | [H+].[Cl-].OC1(CCNCC1)C1=CC=C(Cl)C=C1 |
| Synonym | 4-4-chlorophenyl piperidin-4-ol,4-4-chlorophenyl-4-hydroxypiperidine,4-4-chlorophenyl-4-piperidinol,4-chlorophenyl-4-hydroxylpiperidine,4-p-chlorophenyl-4-hydroxypiperidine,4-p-chlorophenyl piperidin-4-ol,4-piperidinol, 4-4-chlorophenyl,haloperidol metabolite i,unii-und92fks0w,4-hydroxy-4-4-chlorophenyl piperidine |
| IUPAC Name | 4-(4-chlorophenyl)piperidin-4-ol |
| InChI Key | PXAJMBHRLGKPQV-UHFFFAOYSA-N |
| Molecular Formula | C11H15Cl2NO |
1-Acetylpiperidine-4-carbonitrile, 97%, Thermo Scientific™
CAS: 25503-91-7 Molecular Formula: C8H12N2O Molecular Weight (g/mol): 152.20 MDL Number: MFCD00221055 InChI Key: NFDGRMQIOHRQHF-UHFFFAOYSA-N Synonym: 1-acetyl-4-piperidinecarbonitrile,1-acetyl-4-cyanopiperidine,1-acetyl-isonipecotonitrile,4-piperidinecarbonitrile,1-acetyl,1-ethanoylpiperidine-4-carbonitrile PubChem CID: 2756286 IUPAC Name: 1-acetylpiperidine-4-carbonitrile SMILES: CC(=O)N1CCC(CC1)C#N
| PubChem CID | 2756286 |
|---|---|
| CAS | 25503-91-7 |
| Molecular Weight (g/mol) | 152.20 |
| MDL Number | MFCD00221055 |
| SMILES | CC(=O)N1CCC(CC1)C#N |
| Synonym | 1-acetyl-4-piperidinecarbonitrile,1-acetyl-4-cyanopiperidine,1-acetyl-isonipecotonitrile,4-piperidinecarbonitrile,1-acetyl,1-ethanoylpiperidine-4-carbonitrile |
| IUPAC Name | 1-acetylpiperidine-4-carbonitrile |
| InChI Key | NFDGRMQIOHRQHF-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2O |
4-Piperidin-1-ylbenzonitrile, 97%, Thermo Scientific™
CAS: 1204-85-9 Molecular Formula: C12H14N2 Molecular Weight (g/mol): 186.258 MDL Number: MFCD02575368 InChI Key: ZEPXHFFGXQFUDP-UHFFFAOYSA-N Synonym: 4-piperidin-1-yl benzonitrile,4-1-piperidinyl benzonitrile,4-piperidin-1-yl-benzonitrile,4-piperidinobenzonitrile,benzonitrile,4-1-piperidinyl,4-piperidylbenzenecarbonitrile,acmc-209a7n,4-piperidin-1-ylbenzenecarbonitrile PubChem CID: 766771 IUPAC Name: 4-piperidin-1-ylbenzonitrile SMILES: C1CCN(CC1)C2=CC=C(C=C2)C#N
| PubChem CID | 766771 |
|---|---|
| CAS | 1204-85-9 |
| Molecular Weight (g/mol) | 186.258 |
| MDL Number | MFCD02575368 |
| SMILES | C1CCN(CC1)C2=CC=C(C=C2)C#N |
| Synonym | 4-piperidin-1-yl benzonitrile,4-1-piperidinyl benzonitrile,4-piperidin-1-yl-benzonitrile,4-piperidinobenzonitrile,benzonitrile,4-1-piperidinyl,4-piperidylbenzenecarbonitrile,acmc-209a7n,4-piperidin-1-ylbenzenecarbonitrile |
| IUPAC Name | 4-piperidin-1-ylbenzonitrile |
| InChI Key | ZEPXHFFGXQFUDP-UHFFFAOYSA-N |
| Molecular Formula | C12H14N2 |
Morpholino(4-piperidinyl)methanone hydrochloride, ≥90%, Thermo Scientific™
CAS: 63214-57-3 Molecular Formula: C10H18N2O2 Molecular Weight (g/mol): 198.27 MDL Number: MFCD03372501 InChI Key: UVDVXQHUTBCRKT-UHFFFAOYSA-N Synonym: 4-piperidine-4-carbonyl morpholine,morpholino piperidin-4-yl methanone,4-piperidin-4-ylcarbonyl morpholine,morpholin-4-yl piperidin-4-yl methanone,4-4-piperidinylcarbonyl morpholine,morpholin-4-yl-piperidin-4-yl-methanone,morpholin-4-yl 4-piperidyl ketone,4-piperidin-4-yl carbonyl morpholine,methanone, 4-morpholinyl-4-piperidinyl PubChem CID: 1520211 SMILES: O=C(C1CCNCC1)N1CCOCC1
| PubChem CID | 1520211 |
|---|---|
| CAS | 63214-57-3 |
| Molecular Weight (g/mol) | 198.27 |
| MDL Number | MFCD03372501 |
| SMILES | O=C(C1CCNCC1)N1CCOCC1 |
| Synonym | 4-piperidine-4-carbonyl morpholine,morpholino piperidin-4-yl methanone,4-piperidin-4-ylcarbonyl morpholine,morpholin-4-yl piperidin-4-yl methanone,4-4-piperidinylcarbonyl morpholine,morpholin-4-yl-piperidin-4-yl-methanone,morpholin-4-yl 4-piperidyl ketone,4-piperidin-4-yl carbonyl morpholine,methanone, 4-morpholinyl-4-piperidinyl |
| InChI Key | UVDVXQHUTBCRKT-UHFFFAOYSA-N |
| Molecular Formula | C10H18N2O2 |
1-Boc-L-nipecotic acid, 97%
CAS: 88495-54-9 Molecular Formula: C11H19NO4 Molecular Weight (g/mol): 229.276 MDL Number: MFCD02179172 InChI Key: NXILIHONWRXHFA-QMMMGPOBSA-N Synonym: s-1-boc-piperidine-3-carboxylic acid,s-1-tert-butoxycarbonyl piperidine-3-carboxylic acid,s-n-boc-piperidine-3-carboxylic acid,l-1-boc-nipecotic acid,s-boc-nipecotic acid,boc-s-nipecotic acid,boc-s-nip-oh,s-boc-nip,s-n-boc-nipecotic acid,boc-nip-oh PubChem CID: 6951168 IUPAC Name: (3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(=O)O
| PubChem CID | 6951168 |
|---|---|
| CAS | 88495-54-9 |
| Molecular Weight (g/mol) | 229.276 |
| MDL Number | MFCD02179172 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(C1)C(=O)O |
| Synonym | s-1-boc-piperidine-3-carboxylic acid,s-1-tert-butoxycarbonyl piperidine-3-carboxylic acid,s-n-boc-piperidine-3-carboxylic acid,l-1-boc-nipecotic acid,s-boc-nipecotic acid,boc-s-nipecotic acid,boc-s-nip-oh,s-boc-nip,s-n-boc-nipecotic acid,boc-nip-oh |
| IUPAC Name | (3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid |
| InChI Key | NXILIHONWRXHFA-QMMMGPOBSA-N |
| Molecular Formula | C11H19NO4 |
| Molecular Weight (g/mol) | 564.54 g/mol |
|---|
(1-Hexadecyl)pyridinium chloride monohydrate, 98%
CAS: 6004-24-6 Molecular Formula: C21H40ClNO Molecular Weight (g/mol): 358.01 MDL Number: MFCD00149977 InChI Key: NFCRBQADEGXVDL-UHFFFAOYSA-M Synonym: cetylpyridinium chloride monohydrate,1-hexadecylpyridin-1-ium chloride hydrate,1-hexadecylpyridinium chloride monohydrate,hexadecylpyridinium chloride monohydrate,unii-d9om4sk49p,pyridinium, 1-hexadecyl-, chloride, monohydrate,d9om4sk49p,cetylpyridinii chloridum,sprol tn PubChem CID: 22324 ChEBI: CHEBI:3566 SMILES: O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[CH+]C=C1
| PubChem CID | 22324 |
|---|---|
| CAS | 6004-24-6 |
| Molecular Weight (g/mol) | 358.01 |
| ChEBI | CHEBI:3566 |
| MDL Number | MFCD00149977 |
| SMILES | O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[CH+]C=C1 |
| Synonym | cetylpyridinium chloride monohydrate,1-hexadecylpyridin-1-ium chloride hydrate,1-hexadecylpyridinium chloride monohydrate,hexadecylpyridinium chloride monohydrate,unii-d9om4sk49p,pyridinium, 1-hexadecyl-, chloride, monohydrate,d9om4sk49p,cetylpyridinii chloridum,sprol tn |
| InChI Key | NFCRBQADEGXVDL-UHFFFAOYSA-M |
| Molecular Formula | C21H40ClNO |
4,4'-Bipyridine, 98%
CAS: 553-26-4 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00006416 InChI Key: MWVTWFVJZLCBMC-UHFFFAOYSA-N Synonym: 4,4'-bipyridine,4,4'-bipyridyl,4,4'-dipyridyl,4-4-pyridyl pyridine,4,4'-dipyridine,4,4-bipyridyl,4,4-dipyridyl,gamma,gamma'-bipyridyl,gamma,gamma'-dipyridyl,unii-x4o2od61cb PubChem CID: 11107 ChEBI: CHEBI:30985 IUPAC Name: 4-pyridin-4-ylpyridine SMILES: C1=CC(=CC=N1)C1=CC=NC=C1
| PubChem CID | 11107 |
|---|---|
| CAS | 553-26-4 |
| Molecular Weight (g/mol) | 156.19 |
| ChEBI | CHEBI:30985 |
| MDL Number | MFCD00006416 |
| SMILES | C1=CC(=CC=N1)C1=CC=NC=C1 |
| Synonym | 4,4'-bipyridine,4,4'-bipyridyl,4,4'-dipyridyl,4-4-pyridyl pyridine,4,4'-dipyridine,4,4-bipyridyl,4,4-dipyridyl,gamma,gamma'-bipyridyl,gamma,gamma'-dipyridyl,unii-x4o2od61cb |
| IUPAC Name | 4-pyridin-4-ylpyridine |
| InChI Key | MWVTWFVJZLCBMC-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2 |
Pyrrole, 98+%
CAS: 109-97-7 Molecular Formula: C4H5N Molecular Weight (g/mol): 67.09 MDL Number: MFCD00005216 InChI Key: KAESVJOAVNADME-UHFFFAOYSA-N Synonym: pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c PubChem CID: 8027 ChEBI: CHEBI:19203 IUPAC Name: 1H-pyrrole SMILES: N1C=CC=C1
| PubChem CID | 8027 |
|---|---|
| CAS | 109-97-7 |
| Molecular Weight (g/mol) | 67.09 |
| ChEBI | CHEBI:19203 |
| MDL Number | MFCD00005216 |
| SMILES | N1C=CC=C1 |
| Synonym | pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c |
| IUPAC Name | 1H-pyrrole |
| InChI Key | KAESVJOAVNADME-UHFFFAOYSA-N |
| Molecular Formula | C4H5N |
4-Aminopyridine, 98%
CAS: 504-24-5 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.117 MDL Number: MFCD00006439 InChI Key: NUKYPUAOHBNCPY-UHFFFAOYSA-N Synonym: 4-aminopyridine,fampridine,4-pyridinamine,dalfampridine,4-pyridylamine,avitrol,p-aminopyridine,4-ap,ampyra,gamma-aminopyridine PubChem CID: 1727 ChEBI: CHEBI:34385 IUPAC Name: pyridin-4-amine SMILES: C1=CN=CC=C1N
| PubChem CID | 1727 |
|---|---|
| CAS | 504-24-5 |
| Molecular Weight (g/mol) | 94.117 |
| ChEBI | CHEBI:34385 |
| MDL Number | MFCD00006439 |
| SMILES | C1=CN=CC=C1N |
| Synonym | 4-aminopyridine,fampridine,4-pyridinamine,dalfampridine,4-pyridylamine,avitrol,p-aminopyridine,4-ap,ampyra,gamma-aminopyridine |
| IUPAC Name | pyridin-4-amine |
| InChI Key | NUKYPUAOHBNCPY-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |
Pyridine-3,5-dicarboxylic acid, 98%
CAS: 499-81-0 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00006393 InChI Key: MPFLRYZEEAQMLQ-UHFFFAOYSA-N Synonym: 3,5-pyridinedicarboxylic acid,dinicotinic acid,5-carboxynicotinic acid,3,5-pyridinedicarboxylicacid,3,5-pyridindicarbons,3,5-dipyridinecarboxylic acid,pubchem8057,acmc-209kjb,5-carboxy nicotinic acid,pyridine carboxylate, 6f PubChem CID: 10366 ChEBI: CHEBI:46875 IUPAC Name: pyridine-3,5-dicarboxylic acid SMILES: OC(=O)C1=CC(=CN=C1)C(O)=O
| PubChem CID | 10366 |
|---|---|
| CAS | 499-81-0 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:46875 |
| MDL Number | MFCD00006393 |
| SMILES | OC(=O)C1=CC(=CN=C1)C(O)=O |
| Synonym | 3,5-pyridinedicarboxylic acid,dinicotinic acid,5-carboxynicotinic acid,3,5-pyridinedicarboxylicacid,3,5-pyridindicarbons,3,5-dipyridinecarboxylic acid,pubchem8057,acmc-209kjb,5-carboxy nicotinic acid,pyridine carboxylate, 6f |
| IUPAC Name | pyridine-3,5-dicarboxylic acid |
| InChI Key | MPFLRYZEEAQMLQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |