1-(4-methylcyclohexyl)piperazine hydrochloride

• ChemBase ID: 13165
• Molecular Formular: C11H23ClN2
• Molecular Mass: 218.76672
• Monoisotopic Mass: 218.15497643
• SMILES: C1N(CCNC1)C1CCC(CC1)C.Cl
• Canonical SMILES: CC1CCC(CC1)N1CCNCC1.Cl
• InChI: InChI=1S/C11H22N2.ClH/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;/h10-12H,2-9H2,1H3;1H
• InChIKey: VCTBGKMKUPTDDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06801028
• PubChem SID: 160976472
• PubChem CID: 16188159

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false