4-(4-chloro-2-cyclohexylphenoxy)piperidine

• ChemBase ID: 20996
• Molecular Formular: C17H24ClNO
• Molecular Mass: 293.83156
• Monoisotopic Mass: 293.15464207
• SMILES: c1(c(OC2CCNCC2)ccc(c1)Cl)C1CCCCC1
• Canonical SMILES: Clc1ccc(c(c1)C1CCCCC1)OC1CCNCC1
• InChI: InChI=1S/C17H24ClNO/c18-14-6-7-17(20-15-8-10-19-11-9-15)16(12-14)13-4-2-1-3-5-13/h6-7,12-13,15,19H,1-5,8-11H2
• InChIKey: CWZIEDACJJQIBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chloro-2-cyclohexylphenoxy)piperidine
• IUPAC Traditional name: 4-(4-chloro-2-cyclohexylphenoxy)piperidine
• Synonyms: 4-(4-Chloro-2-cyclohexylphenoxy)piperidine

Database IDs

• MDL Number: MFCD08687250
• PubChem SID: 160984303
• PubChem CID: 22397483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.97096795
• LogD (pH = 7.4): 1.8152866
• Log P: 4.1783667
• Molar Refractivity: 83.674 cm^3
• Polarizability: 33.108566 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false