3-methyl-1-phenylpiperazine

• ChemBase ID: 306543
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1(CC(NCC1)C)c1ccccc1
• Canonical SMILES: CC1NCCN(C1)c1ccccc1
• InChI: InChI=1S/C11H16N2/c1-10-9-13(8-7-12-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
• InChIKey: SFWZEMBNNRUEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-phenylpiperazine
• IUPAC Traditional name: 3-methyl-1-phenylpiperazine
• Synonyms: 3-methyl-1-phenylpiperazine

Database IDs

• CAS Number: 72615-78-2
• MDL Number: MFCD06804051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.079709
• LogD (pH = 7.4): 0.38618195
• Log P: 1.9619364
• Molar Refractivity: 55.6608 cm^3
• Polarizability: 21.505178 Å^3
• Polar Surface Area: 15.27 Å^2