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

C13H22Cl2N2O2 — CID 10267309

IUPAC3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
SMILESCc1c(O)c(=O)ccn1CCN1CCCCC1.Cl.Cl
InChIInChI=1S/C13H20N2O2.2ClH/c1-11-13(17)12(16)5-8-15(11)10-9-14-6-3-2-4-7-14;;/h5,8,17H,2-4,6-7,9-10H2,1H3;2*1H
InChIKeyZXZCEHDRPRRZBJ-UHFFFAOYSA-N
MW309.24 g/mol
LogP2.19
Rot. Bonds3

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

3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride (PubChem CID 10267309) has the molecular formula C13H22Cl2N2O2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
PubChem CID10267309
Molecular FormulaC13H22Cl2N2O2
Molecular Weight309.24 g/mol
Exact Mass308.11
IUPAC Name3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
SMILESCc1c(O)c(=O)ccn1CCN1CCCCC1.Cl.Cl
InChIInChI=1S/C13H20N2O2.2ClH/c1-11-13(17)12(16)5-8-15(11)10-9-14-6-3-2-4-7-14;;/h5,8,17H,2-4,6-7,9-10H2,1H3;2*1H
InChIKeyZXZCEHDRPRRZBJ-UHFFFAOYSA-N
XLogP2.19
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-methyl-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-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
The IUPAC name of 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride (CID 10267309) is 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride.
What is the SMILES notation for 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
The canonical SMILES for 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride is Cc1c(O)c(=O)ccn1CCN1CCCCC1.Cl.Cl.
What is the InChIKey of 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
The InChIKey is ZXZCEHDRPRRZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.2ClH/c1-11-13(17)12(16)5-8-15(11)10-9-14-6-3-2-4-7-14;;/h5,8,17H,2-4,6-7,9-10H2,1H3;2*1H.
What are the key properties of 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride is sourced from PubChem (CID 10267309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).