1-(oxan-4-yl)-3-(4-phenoxybenzoyl)piperidine

• ChemBase ID: 587511
• Molecular Formular: C23H27NO3
• Molecular Mass: 365.46538
• Monoisotopic Mass: 365.19909373
• SMILES: N1(CC(C(=O)c2ccc(Oc3ccccc3)cc2)CCC1)C1CCOCC1
• Canonical SMILES: O=C(c1ccc(cc1)Oc1ccccc1)C1CCCN(C1)C1CCOCC1
• InChI: InChI=1S/C23H27NO3/c25-23(19-5-4-14-24(17-19)20-12-15-26-16-13-20)18-8-10-22(11-9-18)27-21-6-2-1-3-7-21/h1-3,6-11,19-20H,4-5,12-17H2
• InChIKey: CQIIBMBQFPJHTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxan-4-yl)-3-(4-phenoxybenzoyl)piperidine
• IUPAC Traditional name: 1-(oxan-4-yl)-3-(4-phenoxybenzoyl)piperidine
• Synonyms: (4-phenoxyphenyl)[1-(tetrahydro-2H-pyran-4-yl)-3-piperidinyl]methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.603292
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4883206
• LogD (pH = 7.4): 2.1262162
• Log P: 3.6348999
• Molar Refractivity: 106.7494 cm^3
• Polarizability: 41.732746 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.9
• LOG S: -3.22
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5