1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one

C13H16ClNO2 — CID 117014121

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
SMILESCc1cc(C)c(N2CCCC(O)C2=O)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-8-6-9(2)12(10(14)7-8)15-5-3-4-11(16)13(15)17/h6-7,11,16H,3-5H2,1-2H3
InChIKeyAKRFZLVFMQYNOM-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.44
Rot. Bonds1

About 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one

1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one (PubChem CID 117014121) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
PubChem CID117014121
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
SMILESCc1cc(C)c(N2CCCC(O)C2=O)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-8-6-9(2)12(10(14)7-8)15-5-3-4-11(16)13(15)17/h6-7,11,16H,3-5H2,1-2H3
InChIKeyAKRFZLVFMQYNOM-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-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 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one (CID 117014121) is 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one is Cc1cc(C)c(N2CCCC(O)C2=O)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one?
The InChIKey is AKRFZLVFMQYNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8-6-9(2)12(10(14)7-8)15-5-3-4-11(16)13(15)17/h6-7,11,16H,3-5H2,1-2H3.
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one?
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one has a molecular weight of 253.73 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 117014121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).