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

• ChemBase ID: 495110
• Molecular Formular: C24H36N2O2
• Molecular Mass: 384.55484
• Monoisotopic Mass: 384.2776784
• SMILES: C(=O)(N1CCCCC1)c1ccc(OC2CCN(CC2)C2CCCCCC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C1CCCCCC1)N1CCCCC1
• InChI: InChI=1S/C24H36N2O2/c27-24(26-16-6-3-7-17-26)20-10-12-22(13-11-20)28-23-14-18-25(19-15-23)21-8-4-1-2-5-9-21/h10-13,21,23H,1-9,14-19H2
• InChIKey: OIOVZCQALZBDBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.780376
• LogD (pH = 7.4): 1.7371573
• Log P: 4.2345786
• Molar Refractivity: 114.6013 cm^3
• Polarizability: 44.487457 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: 4.41
• LOG S: -4.72
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4