4-(4-fluorophenoxy)-1-(oxolane-3-carbonyl)piperidine

• ChemBase ID: 859361
• Molecular Formular: C16H20FNO3
• Molecular Mass: 293.3333032
• Monoisotopic Mass: 293.14272173
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(F)cc1)C1COCC1
• Canonical SMILES: Fc1ccc(cc1)OC1CCN(CC1)C(=O)C1COCC1
• InChI: InChI=1S/C16H20FNO3/c17-13-1-3-14(4-2-13)21-15-5-8-18(9-6-15)16(19)12-7-10-20-11-12/h1-4,12,15H,5-11H2
• InChIKey: YSIGGUCEBNVSHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenoxy)-1-(oxolane-3-carbonyl)piperidine
• IUPAC Traditional name: 4-(4-fluorophenoxy)-1-(oxolane-3-carbonyl)piperidine
• Synonyms: 4-(4-fluorophenoxy)-1-(tetrahydro-3-furanylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3443214
• LogD (pH = 7.4): 1.3443215
• Log P: 1.3443215
• Molar Refractivity: 76.4556 cm^3
• Polarizability: 29.568918 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.82
• LOG S: -2.89
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3