2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile

C15H20N2O — CID 145394980

IUPAC2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
SMILESN#CCC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c16-9-6-13-7-10-17(11-8-13)12-15(18)14-4-2-1-3-5-14/h1-5,13,15,18H,6-8,10-12H2
InChIKeyYNUFLMHSZXLPCX-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.35
Rot. Bonds4

About 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile

2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile (PubChem CID 145394980) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
PubChem CID145394980
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
SMILESN#CCC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c16-9-6-13-7-10-17(11-8-13)12-15(18)14-4-2-1-3-5-14/h1-5,13,15,18H,6-8,10-12H2
InChIKeyYNUFLMHSZXLPCX-UHFFFAOYSA-N
XLogP2.35
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
CID 48940005
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile
CID 63339768
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
4-[1-hydroxy-2-[4-(methoxymethyl)piperidin-1-yl]ethyl]benzonitrile
CID 63971727
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
CID 95290947
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile (CID 145394980) is 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile is N#CCC1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile?
The InChIKey is YNUFLMHSZXLPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-9-6-13-7-10-17(11-8-13)12-15(18)14-4-2-1-3-5-14/h1-5,13,15,18H,6-8,10-12H2.
What are the key properties of 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile?
2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile is sourced from PubChem (CID 145394980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).