1-(3-methylcyclohexyl)piperazine

• ChemBase ID: 311388
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2CC(CCC2)C)CCNCC1
• Canonical SMILES: CC1CCCC(C1)N1CCNCC1
• InChI: InChI=1S/C11H22N2/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13/h10-12H,2-9H2,1H3
• InChIKey: WZVDAEOTVAOPNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methylcyclohexyl)piperazine
• IUPAC Traditional name: 1-(3-methylcyclohexyl)piperazine
• Synonyms: 1-(3-methylcyclohexyl)piperazine

Database IDs

• CAS Number: 99993-62-1
• MDL Number: MFCD03419489

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7137109
• LogD (pH = 7.4): -0.956709
• Log P: 1.7405307
• Molar Refractivity: 56.3063 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2