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

C14H24Cl2N2O3 — CID 24881396

IUPAC3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
SMILESCC(O)c1c(O)c(=O)ccn1CCN1CCCCC1.Cl.Cl
InChIInChI=1S/C14H22N2O3.2ClH/c1-11(17)13-14(19)12(18)5-8-16(13)10-9-15-6-3-2-4-7-15;;/h5,8,11,17,19H,2-4,6-7,9-10H2,1H3;2*1H
InChIKeyIZSKPANAKJDDMH-UHFFFAOYSA-N
MW339.26 g/mol
LogP1.94
Rot. Bonds4

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

3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride (PubChem CID 24881396) has the molecular formula C14H24Cl2N2O3 and a molecular weight of 339.26 g/mol. Its IUPAC name is 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
PubChem CID24881396
Molecular FormulaC14H24Cl2N2O3
Molecular Weight339.26 g/mol
Exact Mass338.12
IUPAC Name3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
SMILESCC(O)c1c(O)c(=O)ccn1CCN1CCCCC1.Cl.Cl
InChIInChI=1S/C14H22N2O3.2ClH/c1-11(17)13-14(19)12(18)5-8-16(13)10-9-15-6-3-2-4-7-15;;/h5,8,11,17,19H,2-4,6-7,9-10H2,1H3;2*1H
InChIKeyIZSKPANAKJDDMH-UHFFFAOYSA-N
XLogP1.94
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-(1-hydroxyethyl)-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-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
The IUPAC name of 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride (CID 24881396) is 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride.
What is the SMILES notation for 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
The canonical SMILES for 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride is CC(O)c1c(O)c(=O)ccn1CCN1CCCCC1.Cl.Cl.
What is the InChIKey of 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
The InChIKey is IZSKPANAKJDDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.2ClH/c1-11(17)13-14(19)12(18)5-8-16(13)10-9-15-6-3-2-4-7-15;;/h5,8,11,17,19H,2-4,6-7,9-10H2,1H3;2*1H.
What are the key properties of 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride has a molecular weight of 339.26 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride is sourced from PubChem (CID 24881396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).