3-methyl-1-(4-methylphenyl)piperazine

• ChemBase ID: 306541
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(c2ccc(cc2)C)CC(NCC1)C
• Canonical SMILES: CC1NCCN(C1)c1ccc(cc1)C
• InChI: InChI=1S/C12H18N2/c1-10-3-5-12(6-4-10)14-8-7-13-11(2)9-14/h3-6,11,13H,7-9H2,1-2H3
• InChIKey: NUVOURRQFIQWTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(4-methylphenyl)piperazine
• IUPAC Traditional name: 3-methyl-1-(4-methylphenyl)piperazine
• Synonyms: 3-methyl-1-(4-methylphenyl)piperazine

Database IDs

• CAS Number: 180622-24-6
• MDL Number: MFCD06804054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.570605
• LogD (pH = 7.4): 0.88837236
• Log P: 2.4753578
• Molar Refractivity: 60.702 cm^3
• Polarizability: 23.270393 Å^3
• Polar Surface Area: 15.27 Å^2