3-methyl-1-phenylpiperazin-2-one

• ChemBase ID: 307102
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: N1(C(=O)C(NCC1)C)c1ccccc1
• Canonical SMILES: CC1NCCN(C1=O)c1ccccc1
• InChI: InChI=1S/C11H14N2O/c1-9-11(14)13(8-7-12-9)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
• InChIKey: MBOWZCXVWQNVEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-phenylpiperazin-2-one
• IUPAC Traditional name: 3-methyl-1-phenylpiperazin-2-one
• Synonyms: 3-methyl-1-phenylpiperazin-2-one

Database IDs

• CAS Number: 72615-77-1
• MDL Number: MFCD06804022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.34074646
• LogD (pH = 7.4): 0.8823474
• Log P: 0.9807121
• Molar Refractivity: 54.6961 cm^3
• Polarizability: 21.52957 Å^3
• Polar Surface Area: 32.34 Å^2