1-cyclooctyl-4-[4-(piperidine-1-carbonyl)phenoxy]piperidine

• ChemBase ID: 646392
• Molecular Formular: C25H38N2O2
• Molecular Mass: 398.58142
• Monoisotopic Mass: 398.29332847
• SMILES: C(=O)(N1CCCCC1)c1ccc(OC2CCN(CC2)C2CCCCCCC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C1CCCCCCC1)N1CCCCC1
• InChI: InChI=1S/C25H38N2O2/c28-25(27-17-7-4-8-18-27)21-11-13-23(14-12-21)29-24-15-19-26(20-16-24)22-9-5-2-1-3-6-10-22/h11-14,22,24H,1-10,15-20H2
• InChIKey: LONCJWPFHVHIJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclooctyl-4-[4-(piperidine-1-carbonyl)phenoxy]piperidine
• IUPAC Traditional name: 1-cyclooctyl-4-[4-(piperidine-1-carbonyl)phenoxy]piperidine
• Synonyms: 1-cyclooctyl-4-[4-(1-piperidinylcarbonyl)phenoxy]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2220947
• LogD (pH = 7.4): 2.1562011
• Log P: 4.6791472
• Molar Refractivity: 119.2023 cm^3
• Polarizability: 46.331345 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: 4.97
• LOG S: -5.03
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4