1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile

C14H18N2O — CID 48940005

IUPAC1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O/c15-10-12-6-8-16(9-7-12)11-14(17)13-4-2-1-3-5-13/h1-5,12,14,17H,6-9,11H2
InChIKeyKZKWLBSSVDWPSP-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.96
Rot. Bonds3

About 1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile

1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile (PubChem CID 48940005) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
PubChem CID48940005
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O/c15-10-12-6-8-16(9-7-12)11-14(17)13-4-2-1-3-5-13/h1-5,12,14,17H,6-9,11H2
InChIKeyKZKWLBSSVDWPSP-UHFFFAOYSA-N
XLogP1.96
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145394980
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol
CID 111110310
2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
CID 112513599
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile
CID 63339768

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile (CID 48940005) is 1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile is N#CC1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile?
The InChIKey is KZKWLBSSVDWPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-10-12-6-8-16(9-7-12)11-14(17)13-4-2-1-3-5-13/h1-5,12,14,17H,6-9,11H2.
What are the key properties of 1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile?
1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 48940005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).