2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile

C17H16ClN3O — CID 172891494

IUPAC2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H16ClN3O/c18-15-5-3-14(4-6-15)17(22)7-10-21(11-8-17)16-13(12-19)2-1-9-20-16/h1-6,9,22H,7-8,10-11H2
InChIKeyVZPHXTQBRQOEOP-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.09
Rot. Bonds2

About 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile

2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 172891494) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile
PubChem CID172891494
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H16ClN3O/c18-15-5-3-14(4-6-15)17(22)7-10-21(11-8-17)16-13(12-19)2-1-9-20-16/h1-6,9,22H,7-8,10-11H2
InChIKeyVZPHXTQBRQOEOP-UHFFFAOYSA-N
XLogP3.09
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-ol
CID 163350499
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171335886
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 15124573
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110897687
4-(4-chlorophenyl)-1-(2-pyridin-2-ylquinazolin-4-yl)piperidin-4-ol
CID 58279837
1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 63126206
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 26452877
2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134011752

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile (CID 172891494) is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VZPHXTQBRQOEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-15-5-3-14(4-6-15)17(22)7-10-21(11-8-17)16-13(12-19)2-1-9-20-16/h1-6,9,22H,7-8,10-11H2.
What are the key properties of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile?
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 313.79 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 172891494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).