3-phenylpiperidin-2-one

C11H13NO — CID 11789726

IUPAC3-phenylpiperidin-2-one
SMILESO=C1NCCCC1c1ccccc1
InChIInChI=1S/C11H13NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,12,13)
InChIKeyXEQXBUHZDFKDDT-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.68
Rot. Bonds1

About 3-phenylpiperidin-2-one

3-phenylpiperidin-2-one (PubChem CID 11789726) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-phenylpiperidin-2-one.

Molecular Properties

Compound Name3-phenylpiperidin-2-one
PubChem CID11789726
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-phenylpiperidin-2-one
SMILESO=C1NCCCC1c1ccccc1
InChIInChI=1S/C11H13NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,12,13)
InChIKeyXEQXBUHZDFKDDT-UHFFFAOYSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-phenylpiperidin-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 3-phenylpiperidin-2-one?
The IUPAC name of 3-phenylpiperidin-2-one (CID 11789726) is 3-phenylpiperidin-2-one.
What is the SMILES notation for 3-phenylpiperidin-2-one?
The canonical SMILES for 3-phenylpiperidin-2-one is O=C1NCCCC1c1ccccc1.
What is the InChIKey of 3-phenylpiperidin-2-one?
The InChIKey is XEQXBUHZDFKDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,12,13).
What are the key properties of 3-phenylpiperidin-2-one?
3-phenylpiperidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpiperidin-2-one is sourced from PubChem (CID 11789726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).