1-(4-phenylcyclohexyl)piperazine hydrochloride

• ChemBase ID: 30320
• Molecular Formular: C16H25ClN2
• Molecular Mass: 280.8361
• Monoisotopic Mass: 280.17062649
• SMILES: N1(C2CCC(CC2)c2ccccc2)CCNCC1.Cl
• Canonical SMILES: N1CCN(CC1)C1CCC(CC1)c1ccccc1.Cl
• InChI: InChI=1S/C16H24N2.ClH/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-10-17-11-13-18;/h1-5,15-17H,6-13H2;1H
• InChIKey: POOYWYOQFKXFTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenylcyclohexyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(4-phenylcyclohexyl)piperazine hydrochloride
• Synonyms: 1-(4-Phenyl-cyclohexyl)-piperazine hydrochloride

Database IDs

• MDL Number: MFCD11052937
• PubChem SID: 160993627
• PubChem CID: 12004555

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.51539415
• LogD (pH = 7.4): 0.47677892
• Log P: 2.8743348
• Molar Refractivity: 76.4013 cm^3
• Polarizability: 30.319866 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false