Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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1,336 – 1,350 of 270,890 results

1,336

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1-Butyl-3-methylimidazolium tetrafluoroborate, 98+%

CAS: 174501-65-6 Molecular Formula: C8H15BF4N2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD03095449 InChI Key: LSBXQLQATZTAPE-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate PubChem CID: 2734178 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate SMILES: F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1

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Specifications

PubChem CID	2734178
CAS	174501-65-6
Molecular Weight (g/mol)	226.03
MDL Number	MFCD03095449
SMILES	F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1
Synonym	1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate
IUPAC Name	1-butyl-3-methylimidazol-3-ium;tetrafluoroborate
InChI Key	LSBXQLQATZTAPE-UHFFFAOYSA-N
Molecular Formula	C8H15BF4N2

1,337

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3-Methylxanthine, 98+%

CAS: 1076-22-8 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 MDL Number: MFCD00005580 InChI Key: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC Name: 3-methyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)NC1=O)NC=N2

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Specifications

PubChem CID	70639
CAS	1076-22-8
Molecular Weight (g/mol)	166.14
ChEBI	CHEBI:62207
MDL Number	MFCD00005580
SMILES	CN1C2=C(C(=O)NC1=O)NC=N2
Synonym	3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817
IUPAC Name	3-methyl-7H-purine-2,6-dione
InChI Key	GMSNIKWWOQHZGF-UHFFFAOYSA-N
Molecular Formula	C6H6N4O2

1,338

Aniracetam

CAS: 72432-10-1 Molecular Formula: C12H13NO3 Molecular Weight (g/mol): 219.24 MDL Number: MFCD00153767 InChI Key: ZXNRTKGTQJPIJK-UHFFFAOYSA-N Synonym: aniracetam,draganon,sarpul,1-4-methoxybenzoyl-2-pyrrolidinone,ampamet,1-4-methoxybenzoyl pyrrolidin-2-one,1-p-anisoyl-2-pyrrolidinone,memodrin,aniracetamun inn-latin,aniracetam usan:inn:jan PubChem CID: 2196 ChEBI: CHEBI:47943 IUPAC Name: 1-(4-methoxybenzoyl)pyrrolidin-2-one SMILES: COC1=CC=C(C=C1)C(=O)N2CCCC2=O

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Specifications

PubChem CID	2196
CAS	72432-10-1
Molecular Weight (g/mol)	219.24
ChEBI	CHEBI:47943
MDL Number	MFCD00153767
SMILES	COC1=CC=C(C=C1)C(=O)N2CCCC2=O
Synonym	aniracetam,draganon,sarpul,1-4-methoxybenzoyl-2-pyrrolidinone,ampamet,1-4-methoxybenzoyl pyrrolidin-2-one,1-p-anisoyl-2-pyrrolidinone,memodrin,aniracetamun inn-latin,aniracetam usan:inn:jan
IUPAC Name	1-(4-methoxybenzoyl)pyrrolidin-2-one
InChI Key	ZXNRTKGTQJPIJK-UHFFFAOYSA-N
Molecular Formula	C12H13NO3

1,339

1-(3-Isocyanatophenyl)-1H-pyrrole, ≥97%, Thermo Scientific™

CAS: 857283-59-1 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.198 MDL Number: MFCD07772799 InChI Key: PUPFPJGLDBUOOI-UHFFFAOYSA-N Synonym: 1-3-isocyanatophenyl-1h-pyrrole,1-3-isocyanatophenyl pyrrole,3-pyrrolylbenzenisocyanate,1h-pyrrole,1-3-isocyanatophenyl PubChem CID: 7162333 IUPAC Name: 1-(3-isocyanatophenyl)pyrrole SMILES: C1=CN(C=C1)C2=CC=CC(=C2)N=C=O

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Specifications

PubChem CID	7162333
CAS	857283-59-1
Molecular Weight (g/mol)	184.198
MDL Number	MFCD07772799
SMILES	C1=CN(C=C1)C2=CC=CC(=C2)N=C=O
Synonym	1-3-isocyanatophenyl-1h-pyrrole,1-3-isocyanatophenyl pyrrole,3-pyrrolylbenzenisocyanate,1h-pyrrole,1-3-isocyanatophenyl
IUPAC Name	1-(3-isocyanatophenyl)pyrrole
InChI Key	PUPFPJGLDBUOOI-UHFFFAOYSA-N
Molecular Formula	C11H8N2O

1,340

3-(1H-Pyrrol-1-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 61471-45-2 Molecular Formula: C11H8NO2 Molecular Weight (g/mol): 186.19 MDL Number: MFCD02656610 InChI Key: PODFNQCZFHLJPH-UHFFFAOYSA-M PubChem CID: 736537 SMILES: [O-]C(=O)C1=CC=CC(=C1)N1C=CC=C1

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PubChem CID	736537
CAS	61471-45-2
Molecular Weight (g/mol)	186.19
MDL Number	MFCD02656610
SMILES	[O-]C(=O)C1=CC=CC(=C1)N1C=CC=C1
InChI Key	PODFNQCZFHLJPH-UHFFFAOYSA-M
Molecular Formula	C11H8NO2

1,341

Imidazo[1,2-a]pyridine-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 6200-60-8 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD01720458 InChI Key: DOGXPDFZEQXZDS-UHFFFAOYSA-N Synonym: imidazo 1,2-a pyridine-3-carboxylic acid,imidazo 1,2-a pyridine-3-carboxylicacid,pubchem19678,wln: t56 an dnj bvq,3-carboxyimidazo 1,2-a pyridine,h-imidazo 1,2-a pyridine-3-carboxylic acid,4-hydroimidazo 1,2-a pyridine-3-carboxylic acid,1h-imidazo 1,2-a pyridine-3-carboxylic acid PubChem CID: 73142 IUPAC Name: imidazo[1,2-a]pyridine-3-carboxylic acid SMILES: OC(=O)C1=CN=C2C=CC=CN12

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Specifications

PubChem CID	73142
CAS	6200-60-8
Molecular Weight (g/mol)	162.15
MDL Number	MFCD01720458
SMILES	OC(=O)C1=CN=C2C=CC=CN12
Synonym	imidazo 1,2-a pyridine-3-carboxylic acid,imidazo 1,2-a pyridine-3-carboxylicacid,pubchem19678,wln: t56 an dnj bvq,3-carboxyimidazo 1,2-a pyridine,h-imidazo 1,2-a pyridine-3-carboxylic acid,4-hydroimidazo 1,2-a pyridine-3-carboxylic acid,1h-imidazo 1,2-a pyridine-3-carboxylic acid
IUPAC Name	imidazo[1,2-a]pyridine-3-carboxylic acid
InChI Key	DOGXPDFZEQXZDS-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

1,342

1-Benzothiophene-5-carbonitrile, ≥95%, Thermo Scientific™

CAS: 2060-63-1 Molecular Formula: C9H5NS Molecular Weight (g/mol): 159.21 MDL Number: MFCD05664404 InChI Key: IPJUOWGTGHKFKN-UHFFFAOYSA-N Synonym: benzo b thiophene-5-carbonitrile,5-cyanobenzothiophene,pubchem9722,5-thionaphthenecarbonitrile,benzo thiophene-5-carbonitrile,benzo,a thiophene-5-carbonitrile,benzothiophene-5-carbonitrile,1-benzo b thiophene-5-carbonitrile PubChem CID: 2795452 IUPAC Name: 1-benzothiophene-5-carbonitrile SMILES: N#CC1=CC=C2SC=CC2=C1

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Specifications

PubChem CID	2795452
CAS	2060-63-1
Molecular Weight (g/mol)	159.21
MDL Number	MFCD05664404
SMILES	N#CC1=CC=C2SC=CC2=C1
Synonym	benzo b thiophene-5-carbonitrile,5-cyanobenzothiophene,pubchem9722,5-thionaphthenecarbonitrile,benzo thiophene-5-carbonitrile,benzo,a thiophene-5-carbonitrile,benzothiophene-5-carbonitrile,1-benzo b thiophene-5-carbonitrile
IUPAC Name	1-benzothiophene-5-carbonitrile
InChI Key	IPJUOWGTGHKFKN-UHFFFAOYSA-N
Molecular Formula	C9H5NS

1,343

2-(Tetrahydropyran-4-yloxy)aniline, 95%, Thermo Scientific™

CAS: 898289-35-5 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD09025872 InChI Key: CLGPZXHLRKSEDD-UHFFFAOYSA-N Synonym: 2-tetrahydro-2h-pyran-4-yloxy aniline,2-tetrahydropyran-4-yloxy aniline,2-tetrahydro-2h-pyran-4-yl oxy aniline,2-oxan-4-yloxy aniline,benzenamine,2-tetrahydro-2h-pyran-4-yl oxy,benzenamine, 2-tetrahydro-2h-pyran-4-yl oxy,2-oxan-4-yl oxy aniline,2-tetrahydropyran-4-yloxyaniline,4-2-aminophenoxy tetrahydro-2h-pyran,2-tetrahydro-2h-pyran-4-yl ;oxy ;aniline PubChem CID: 24229516 IUPAC Name: 2-(oxan-4-yloxy)aniline SMILES: C1COCCC1OC2=CC=CC=C2N

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PubChem CID	24229516
CAS	898289-35-5
Molecular Weight (g/mol)	193.246
MDL Number	MFCD09025872
SMILES	C1COCCC1OC2=CC=CC=C2N
Synonym	2-tetrahydro-2h-pyran-4-yloxy aniline,2-tetrahydropyran-4-yloxy aniline,2-tetrahydro-2h-pyran-4-yl oxy aniline,2-oxan-4-yloxy aniline,benzenamine,2-tetrahydro-2h-pyran-4-yl oxy,benzenamine, 2-tetrahydro-2h-pyran-4-yl oxy,2-oxan-4-yl oxy aniline,2-tetrahydropyran-4-yloxyaniline,4-2-aminophenoxy tetrahydro-2h-pyran,2-tetrahydro-2h-pyran-4-yl ;oxy ;aniline
IUPAC Name	2-(oxan-4-yloxy)aniline
InChI Key	CLGPZXHLRKSEDD-UHFFFAOYSA-N
Molecular Formula	C11H15NO2

1,344

4-(Tetrahydropyran-4-yloxy)benzoic acid, 97%, Thermo Scientific™

CAS: 851048-51-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD09025874 InChI Key: MPNYLYRGNCZFFH-UHFFFAOYSA-N PubChem CID: 24229519 IUPAC Name: 4-(oxan-4-yloxy)benzoic acid SMILES: C1COCCC1OC2=CC=C(C=C2)C(=O)O

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PubChem CID	24229519
CAS	851048-51-6
Molecular Weight (g/mol)	222.24
MDL Number	MFCD09025874
SMILES	C1COCCC1OC2=CC=C(C=C2)C(=O)O
IUPAC Name	4-(oxan-4-yloxy)benzoic acid
InChI Key	MPNYLYRGNCZFFH-UHFFFAOYSA-N
Molecular Formula	C12H14O4

1,345

2-(Tetrahydropyran-4-yloxy)benzoic acid, 97%, Thermo Scientific™

CAS: 898289-29-7 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD09025869 InChI Key: AVRDARROMNUMER-UHFFFAOYSA-N Synonym: 2-oxan-4-yloxy benzoic acid,2-tetrahydropyran-4-yloxy benzoic acid,2-oxan-4-yl oxy benzoic acid,2-tetrahydro-2h-pyran-4-yl oxy benzoic acid,benzoic acid, 2-tetrahydro-2h-pyran-4-yl oxy,benzoic acid,2-tetrahydro-2h-pyran-4-yl oxy,2-2h-3,4,5,6-tetrahydropyran-4-yloxy benzoic acid PubChem CID: 21754839 IUPAC Name: 2-(oxan-4-yloxy)benzoic acid SMILES: OC(=O)C1=CC=CC=C1OC1CCOCC1

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Specifications

PubChem CID	21754839
CAS	898289-29-7
Molecular Weight (g/mol)	222.24
MDL Number	MFCD09025869
SMILES	OC(=O)C1=CC=CC=C1OC1CCOCC1
Synonym	2-oxan-4-yloxy benzoic acid,2-tetrahydropyran-4-yloxy benzoic acid,2-oxan-4-yl oxy benzoic acid,2-tetrahydro-2h-pyran-4-yl oxy benzoic acid,benzoic acid, 2-tetrahydro-2h-pyran-4-yl oxy,benzoic acid,2-tetrahydro-2h-pyran-4-yl oxy,2-2h-3,4,5,6-tetrahydropyran-4-yloxy benzoic acid
IUPAC Name	2-(oxan-4-yloxy)benzoic acid
InChI Key	AVRDARROMNUMER-UHFFFAOYSA-N
Molecular Formula	C12H14O4

1,346

4-[2-(Chloromethyl)-4-(trifluoromethyl)phenyl]morpholine, 97%, Thermo Scientific™

CAS: 892502-15-7 Molecular Formula: C12H13ClF3NO Molecular Weight (g/mol): 279.687 MDL Number: MFCD09025889 InChI Key: KCGVSWOLBMMCMW-UHFFFAOYSA-N Synonym: 4-2-chloromethyl-4-trifluoromethyl phenyl morpholine,morpholine,4-2-chloromethyl-4-trifluoromethyl phenyl PubChem CID: 18525887 IUPAC Name: 4-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]morpholine SMILES: C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)CCl

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Specifications

PubChem CID	18525887
CAS	892502-15-7
Molecular Weight (g/mol)	279.687
MDL Number	MFCD09025889
SMILES	C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)CCl
Synonym	4-2-chloromethyl-4-trifluoromethyl phenyl morpholine,morpholine,4-2-chloromethyl-4-trifluoromethyl phenyl
IUPAC Name	4-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]morpholine
InChI Key	KCGVSWOLBMMCMW-UHFFFAOYSA-N
Molecular Formula	C12H13ClF3NO

1,347

2-Morpholino-5-(trifluoromethyl)benzoic acid, 97%, Thermo Scientific™

CAS: 865471-20-1 Molecular Formula: C12H12F3NO3 Molecular Weight (g/mol): 275.227 MDL Number: MFCD09025883 InChI Key: PRECFTDWCNEEDB-UHFFFAOYSA-N Synonym: 2-morpholino-5-trifluoromethyl benzoic acid,2-morpholin-4-yl-5-trifluoromethyl benzoic acid,benzoic acid,2-4-morpholinyl-5-trifluoromethyl PubChem CID: 24229572 IUPAC Name: 2-morpholin-4-yl-5-(trifluoromethyl)benzoic acid SMILES: C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)C(=O)O

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Specifications

PubChem CID	24229572
CAS	865471-20-1
Molecular Weight (g/mol)	275.227
MDL Number	MFCD09025883
SMILES	C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)C(=O)O
Synonym	2-morpholino-5-trifluoromethyl benzoic acid,2-morpholin-4-yl-5-trifluoromethyl benzoic acid,benzoic acid,2-4-morpholinyl-5-trifluoromethyl
IUPAC Name	2-morpholin-4-yl-5-(trifluoromethyl)benzoic acid
InChI Key	PRECFTDWCNEEDB-UHFFFAOYSA-N
Molecular Formula	C12H12F3NO3

1,348

1-(Thien-2-ylmethyl)piperidine-4-carboxylic acid hydrochloridehydrate, 97%, Thermo Scientific™

CAS: 944450-84-4 Molecular Formula: C11H18ClNO3S Molecular Weight (g/mol): 279.779 MDL Number: MFCD09817555 InChI Key: YUUKLZNSOZECHH-UHFFFAOYSA-N Synonym: 1-thien-2-ylmethyl piperidine-4-carboxylic acid hydrochloride hydrate,1-thiophen-2-ylmethyl piperidine-4-carboxylic acid hydrate hydrochloride,1-thiophen-2-ylmethyl piperidine-4-carboxylic acid hydrochloride hydrate,1-thiophen-2-yl methyl piperidine-4-carboxylic acid-hydrogen chloride-water 1/1/1 PubChem CID: 44118590 IUPAC Name: 1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid;hydrate;hydrochloride SMILES: C1CN(CCC1C(=O)O)CC2=CC=CS2.O.Cl

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Specifications

PubChem CID	44118590
CAS	944450-84-4
Molecular Weight (g/mol)	279.779
MDL Number	MFCD09817555
SMILES	C1CN(CCC1C(=O)O)CC2=CC=CS2.O.Cl
Synonym	1-thien-2-ylmethyl piperidine-4-carboxylic acid hydrochloride hydrate,1-thiophen-2-ylmethyl piperidine-4-carboxylic acid hydrate hydrochloride,1-thiophen-2-ylmethyl piperidine-4-carboxylic acid hydrochloride hydrate,1-thiophen-2-yl methyl piperidine-4-carboxylic acid-hydrogen chloride-water 1/1/1
IUPAC Name	1-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid;hydrate;hydrochloride
InChI Key	YUUKLZNSOZECHH-UHFFFAOYSA-N
Molecular Formula	C11H18ClNO3S

1,349

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2,5-Dimethylpyrrole, 97%

CAS: 625-84-3 Molecular Formula: C₆H₉N Molecular Weight (g/mol): 95.14 MDL Number: MFCD00005223 InChI Key: PAPNRQCYSFBWDI-UHFFFAOYSA-N Synonym: 2,5-dimethylpyrrole,2,5-dimethylazole,1h-pyrrole, 2,5-dimethyl,pyrrole, 2,5-dimethyl,unii-mz3oyf5521,2,5-dimethyl-pyrrole,pyrrole,2,5-dimethyl,2,5-dimethyl pyrrole,pyrrole, 2,5-dimethyl-8ci,2,5-bimethylpyrrole PubChem CID: 12265 IUPAC Name: 2,5-dimethyl-1H-pyrrole SMILES: CC1=CC=C(N1)C

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Specifications

PubChem CID	12265
CAS	625-84-3
Molecular Weight (g/mol)	95.14
MDL Number	MFCD00005223
SMILES	CC1=CC=C(N1)C
Synonym	2,5-dimethylpyrrole,2,5-dimethylazole,1h-pyrrole, 2,5-dimethyl,pyrrole, 2,5-dimethyl,unii-mz3oyf5521,2,5-dimethyl-pyrrole,pyrrole,2,5-dimethyl,2,5-dimethyl pyrrole,pyrrole, 2,5-dimethyl-8ci,2,5-bimethylpyrrole
IUPAC Name	2,5-dimethyl-1H-pyrrole
InChI Key	PAPNRQCYSFBWDI-UHFFFAOYSA-N
Molecular Formula	C₆H₉N

1,350

(3-Piperidinophenyl)methanol, 97%, Thermo Scientific™

CAS: 852180-58-6 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD07772816 InChI Key: HNESBVGXCDQHLJ-UHFFFAOYSA-N Synonym: 3-piperidinophenyl methanol,3-piperidin-1-yl phenyl methanol,3-piperidin-1-ylphenyl methanol,3-piperidylphenyl methan-1-ol,benzenemethanol,3-1-piperidinyl PubChem CID: 7162330 IUPAC Name: (3-piperidin-1-ylphenyl)methanol SMILES: C1CCN(CC1)C2=CC=CC(=C2)CO

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Specifications

PubChem CID	7162330
CAS	852180-58-6
Molecular Weight (g/mol)	191.274
MDL Number	MFCD07772816
SMILES	C1CCN(CC1)C2=CC=CC(=C2)CO
Synonym	3-piperidinophenyl methanol,3-piperidin-1-yl phenyl methanol,3-piperidin-1-ylphenyl methanol,3-piperidylphenyl methan-1-ol,benzenemethanol,3-1-piperidinyl
IUPAC Name	(3-piperidin-1-ylphenyl)methanol
InChI Key	HNESBVGXCDQHLJ-UHFFFAOYSA-N
Molecular Formula	C12H17NO

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