3-(2-phenylethyl)piperidin-2-one

C13H17NO — CID 10798202

IUPAC3-(2-phenylethyl)piperidin-2-one
SMILESO=C1NCCCC1CCc1ccccc1
InChIInChI=1S/C13H17NO/c15-13-12(7-4-10-14-13)9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,14,15)
InChIKeyVEKXOGVOKSSHTE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.15
Rot. Bonds3

About 3-(2-phenylethyl)piperidin-2-one

3-(2-phenylethyl)piperidin-2-one (PubChem CID 10798202) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name3-(2-phenylethyl)piperidin-2-one
PubChem CID10798202
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-(2-phenylethyl)piperidin-2-one
SMILESO=C1NCCCC1CCc1ccccc1
InChIInChI=1S/C13H17NO/c15-13-12(7-4-10-14-13)9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,14,15)
InChIKeyVEKXOGVOKSSHTE-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-phenylethyl)piperidin-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-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 3-(2-phenylethyl)piperidin-2-one (CID 10798202) is 3-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 3-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 3-(2-phenylethyl)piperidin-2-one is O=C1NCCCC1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)piperidin-2-one?
The InChIKey is VEKXOGVOKSSHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-12(7-4-10-14-13)9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,14,15).
What are the key properties of 3-(2-phenylethyl)piperidin-2-one?
3-(2-phenylethyl)piperidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 10798202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).