1-(2-methylcyclohexyl)piperazine dihydrochloride

• ChemBase ID: 13164
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: C1N(CCNC1)C1CCCCC1C.Cl.Cl
• Canonical SMILES: CC1CCCCC1N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13;;/h10-12H,2-9H2,1H3;2*1H
• InChIKey: BKOOCJPHYOLLLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylcyclohexyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(2-methylcyclohexyl)piperazine dihydrochloride
• Synonyms: 1-(2-Methyl-cyclohexyl)-piperazine dihydrochloride

Database IDs

• MDL Number: MFCD06801027
• PubChem SID: 160976471
• PubChem CID: 45074833

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6545424
• LogD (pH = 7.4): -1.0118924
• Log P: 1.8184844
• Molar Refractivity: 56.2293 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false