1-[1-(3-methoxyphenyl)cyclohexyl]piperidine

• ChemBase ID: 125389
• Molecular Formular: C18H27NO
• Molecular Mass: 273.41308
• Monoisotopic Mass: 273.20926449
• SMILES: COc1cccc(c1)C1(CCCCC1)N1CCCCC1
• Canonical SMILES: COc1cccc(c1)C1(CCCCC1)N1CCCCC1
• InChI: InChI=1S/C18H27NO/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3
• InChIKey: BQQSZHHKGPOXLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine
• IUPAC Traditional name: 4-MeO-PCP
• Synonyms: 3-MeO-PCP; 4-MeO-PCP; 1-(1-(3-Methoxyphenyl)cyclohexyl)piperidine

Database IDs

• CAS Number: 72242-03-6; 2201-35-6
• MDL Number: MFCD22199985
• PubChem SID: 162219739
• PubChem CID: 11778080
• Chemspider ID: 9952762; 10526416
• Wikipedia Title: 3-MeO-PCP; 4-MeO-PCP

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.86644745
• LogD (pH = 7.4): 1.739637
• Log P: 4.3303766
• Molar Refractivity: 84.1097 cm^3
• Polarizability: 33.20349 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Not Currently Scheduled

Product Information

• Purity: 95+%