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

• ChemBase ID: 123374
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(c2cc(ccc2)C)C(CNCC1)C
• Canonical SMILES: Cc1cccc(c1)N1CCNCC1C
• InChI: InChI=1S/C12H18N2/c1-10-4-3-5-12(8-10)14-7-6-13-9-11(14)2/h3-5,8,11,13H,6-7,9H2,1-2H3
• InChIKey: QDMCWIHRLTVLIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(3-methylphenyl)piperazine
• IUPAC Traditional name: 2-methyl-1-(3-methylphenyl)piperazine
• Synonyms: 2-methyl-1-(m-tolyl)piperazine; 2-methyl-1-(3-methylphenyl)piperazine

Database IDs

• MDL Number: MFCD00044835
• PubChem SID: 162217727
• PubChem CID: 2723804

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5816813
• LogD (pH = 7.4): 0.85862416
• Log P: 2.4753578
• Molar Refractivity: 60.702 cm^3
• Polarizability: 23.271135 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.099

Product Information

• Purity: 95%