2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile

C20H23N3O2 — CID 56760279

IUPAC2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC(CO)(CCOc2ccccc2)C1
InChIInChI=1S/C20H23N3O2/c21-14-17-6-4-11-22-19(17)23-12-5-9-20(15-23,16-24)10-13-25-18-7-2-1-3-8-18/h1-4,6-8,11,24H,5,9-10,12-13,15-16H2
InChIKeyKGWVLIWINQSIKO-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.00
Rot. Bonds6

About 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile

2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56760279) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID56760279
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC(CO)(CCOc2ccccc2)C1
InChIInChI=1S/C20H23N3O2/c21-14-17-6-4-11-22-19(17)23-12-5-9-20(15-23,16-24)10-13-25-18-7-2-1-3-8-18/h1-4,6-8,11,24H,5,9-10,12-13,15-16H2
InChIKeyKGWVLIWINQSIKO-UHFFFAOYSA-N
XLogP3.00
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 56760279) is 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCCC(CO)(CCOc2ccccc2)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is KGWVLIWINQSIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-14-17-6-4-11-22-19(17)23-12-5-9-20(15-23,16-24)10-13-25-18-7-2-1-3-8-18/h1-4,6-8,11,24H,5,9-10,12-13,15-16H2.
What are the key properties of 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56760279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).