1-cyclohexyl-4-(1,2-diphenylethyl)piperazine

• ChemBase ID: 128467
• Molecular Formular: C24H32N2
• Molecular Mass: 348.52428
• Monoisotopic Mass: 348.25654903
• SMILES: c1ccccc1CC(c1ccccc1)N1CCN(CC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C24H32N2/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2
• InChIKey: IGBRRSIHEGCUEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine
• IUPAC Traditional name: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine
• Synonyms: MT-45, IC-6; MT-45

Database IDs

• CAS Number: 41537-67-1
• PubChem SID: 162222774
• PubChem CID: 431865
• Wikipedia Title: MT-45

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2630556
• LogD (pH = 7.4): 3.6185024
• Log P: 5.633934
• Molar Refractivity: 110.7028 cm^3
• Polarizability: 43.651573 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false