2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one

C13H16FNO2 — CID 591534

IUPAC2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
SMILESCN1CC(C)(O)C(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-13(17)8-15(2)11(7-12(13)16)9-3-5-10(14)6-4-9/h3-6,11,17H,7-8H2,1-2H3
InChIKeyRKEBUMJKYNYVBH-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.52
Rot. Bonds1

About 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one

2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one (PubChem CID 591534) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
PubChem CID591534
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
SMILESCN1CC(C)(O)C(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-13(17)8-15(2)11(7-12(13)16)9-3-5-10(14)6-4-9/h3-6,11,17H,7-8H2,1-2H3
InChIKeyRKEBUMJKYNYVBH-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-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 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one (CID 591534) is 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one is CN1CC(C)(O)C(=O)CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
The InChIKey is RKEBUMJKYNYVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-13(17)8-15(2)11(7-12(13)16)9-3-5-10(14)6-4-9/h3-6,11,17H,7-8H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one has a molecular weight of 237.27 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one is sourced from PubChem (CID 591534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).