1-(2-phenylethyl)piperazin-2-one

• ChemBase ID: 307191
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: N1(C(=O)CNCC1)CCc1ccccc1
• Canonical SMILES: O=C1CNCCN1CCc1ccccc1
• InChI: InChI=1S/C12H16N2O/c15-12-10-13-7-9-14(12)8-6-11-4-2-1-3-5-11/h1-5,13H,6-10H2
• InChIKey: WBYIPZGFLHDABY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylethyl)piperazin-2-one
• IUPAC Traditional name: 1-(2-phenylethyl)piperazin-2-one
• Synonyms: 1-(2-phenylethyl)piperazin-2-one

Database IDs

• CAS Number: 190953-69-6
• MDL Number: MFCD08691551

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -0.78855324
• LogD (pH = 7.4): 0.60610086
• Log P: 0.76712376
• Molar Refractivity: 59.7922 cm^3
• Polarizability: 23.385403 Å^3
• Polar Surface Area: 32.34 Å^2
• H Acceptors: 2