3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one

C13H20N2O3 — CID 24881395

IUPAC3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one
SMILESO=c1ccn(CCN2CCCCC2)c(CO)c1O
InChIInChI=1S/C13H20N2O3/c16-10-11-13(18)12(17)4-7-15(11)9-8-14-5-2-1-3-6-14/h4,7,16,18H,1-3,5-6,8-10H2
InChIKeyNAEGKQWRYRMMQQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.53
Rot. Bonds4

About 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one

3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one (PubChem CID 24881395) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one
PubChem CID24881395
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one
SMILESO=c1ccn(CCN2CCCCC2)c(CO)c1O
InChIInChI=1S/C13H20N2O3/c16-10-11-13(18)12(17)4-7-15(11)9-8-14-5-2-1-3-6-14/h4,7,16,18H,1-3,5-6,8-10H2
InChIKeyNAEGKQWRYRMMQQ-UHFFFAOYSA-N
XLogP0.53
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one 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 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one (CID 24881395) is 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one is O=c1ccn(CCN2CCCCC2)c(CO)c1O.
What is the InChIKey of 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one?
The InChIKey is NAEGKQWRYRMMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-10-11-13(18)12(17)4-7-15(11)9-8-14-5-2-1-3-6-14/h4,7,16,18H,1-3,5-6,8-10H2.
What are the key properties of 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one?
3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one has a molecular weight of 252.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one is sourced from PubChem (CID 24881395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).