6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile

C20H23N3O2 — CID 56751800

IUPAC6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC(CO)(CCOc3ccccc3)C2)nc1
InChIInChI=1S/C20H23N3O2/c21-13-17-7-8-19(22-14-17)23-11-4-9-20(15-23,16-24)10-12-25-18-5-2-1-3-6-18/h1-3,5-8,14,24H,4,9-12,15-16H2
InChIKeyFPJMPTRUAJOFBP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.00
Rot. Bonds6

About 6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile

6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56751800) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID56751800
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC(CO)(CCOc3ccccc3)C2)nc1
InChIInChI=1S/C20H23N3O2/c21-13-17-7-8-19(22-14-17)23-11-4-9-20(15-23,16-24)10-12-25-18-5-2-1-3-6-18/h1-3,5-8,14,24H,4,9-12,15-16H2
InChIKeyFPJMPTRUAJOFBP-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 6-[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 6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 56751800) is 6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCCC(CO)(CCOc3ccccc3)C2)nc1.
What is the InChIKey of 6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FPJMPTRUAJOFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-13-17-7-8-19(22-14-17)23-11-4-9-20(15-23,16-24)10-12-25-18-5-2-1-3-6-18/h1-3,5-8,14,24H,4,9-12,15-16H2.
What are the key properties of 6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile?
6-[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 6-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56751800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).