4-[5-chloro-2-(piperidine-1-carbonyl)phenoxy]-1-cyclohexylpiperidine

• ChemBase ID: 407426
• Molecular Formular: C23H33ClN2O2
• Molecular Mass: 404.97332
• Monoisotopic Mass: 404.22305599
• SMILES: c1(C(=O)N2CCCCC2)c(cc(cc1)Cl)OC1CCN(CC1)C1CCCCC1
• Canonical SMILES: Clc1ccc(c(c1)OC1CCN(CC1)C1CCCCC1)C(=O)N1CCCCC1
• InChI: InChI=1S/C23H33ClN2O2/c24-18-9-10-21(23(27)26-13-5-2-6-14-26)22(17-18)28-20-11-15-25(16-12-20)19-7-3-1-4-8-19/h9-10,17,19-20H,1-8,11-16H2
• InChIKey: DCVKREHHPZCEIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-chloro-2-(piperidine-1-carbonyl)phenoxy]-1-cyclohexylpiperidine
• IUPAC Traditional name: 4-[5-chloro-2-(piperidine-1-carbonyl)phenoxy]-1-cyclohexylpiperidine
• Synonyms: 4-[5-chloro-2-(1-piperidinylcarbonyl)phenoxy]-1-cyclohexylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9864621
• LogD (pH = 7.4): 2.194482
• Log P: 4.3940544
• Molar Refractivity: 114.8051 cm^3
• Polarizability: 44.513367 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.6
• LOG S: -5.21
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4