1-(4-methylcyclohexyl)piperazine

• ChemBase ID: 275451
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2CCC(CC2)C)CCNCC1
• Canonical SMILES: CC1CCC(CC1)N1CCNCC1
• InChI: InChI=1S/C11H22N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h10-12H,2-9H2,1H3
• InChIKey: JSPCWYQQBFGMBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylcyclohexyl)piperazine
• IUPAC Traditional name: 1-(4-methylcyclohexyl)piperazine
• Synonyms: 1-(4-methylcyclohexyl)piperazine

Database IDs

• MDL Number: MFCD03119781
• PubChem SID: 164331361
• PubChem CID: 796165

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6853089
• LogD (pH = 7.4): -0.80619675
• Log P: 1.7405307
• Molar Refractivity: 56.3063 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.222

Product Information

• Purity: 95%