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

C13H22Cl2N2O3 — CID 24881394

IUPAC3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
SMILESCl.Cl.O=c1ccn(CCN2CCCCC2)c(CO)c1O
InChIInChI=1S/C13H20N2O3.2ClH/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;2*1H
InChIKeyDNCSGDIIWDHBCU-UHFFFAOYSA-N
MW325.24 g/mol
LogP1.38
Rot. Bonds4

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

3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride (PubChem CID 24881394) has the molecular formula C13H22Cl2N2O3 and a molecular weight of 325.24 g/mol. Its IUPAC name is 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
PubChem CID24881394
Molecular FormulaC13H22Cl2N2O3
Molecular Weight325.24 g/mol
Exact Mass324.10
IUPAC Name3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
SMILESCl.Cl.O=c1ccn(CCN2CCCCC2)c(CO)c1O
InChIInChI=1S/C13H20N2O3.2ClH/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;2*1H
InChIKeyDNCSGDIIWDHBCU-UHFFFAOYSA-N
XLogP1.38
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride 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;dihydrochloride?
The IUPAC name of 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride (CID 24881394) is 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride.
What is the SMILES notation for 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
The canonical SMILES for 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride is Cl.Cl.O=c1ccn(CCN2CCCCC2)c(CO)c1O.
What is the InChIKey of 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
The InChIKey is DNCSGDIIWDHBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.2ClH/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;2*1H.
What are the key properties of 3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
3-hydroxy-2-(hydroxymethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride has a molecular weight of 325.24 g/mol, XLogP of 1.38, 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;dihydrochloride is sourced from PubChem (CID 24881394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).