4-[4-(3-fluorophenoxy)piperidine-1-carbonyl]pyridine

• ChemBase ID: 547278
• Molecular Formular: C17H17FN2O2
• Molecular Mass: 300.3274832
• Monoisotopic Mass: 300.12740601
• SMILES: C(=O)(N1CCC(Oc2cc(F)ccc2)CC1)c1ccncc1
• Canonical SMILES: Fc1cccc(c1)OC1CCN(CC1)C(=O)c1ccncc1
• InChI: InChI=1S/C17H17FN2O2/c18-14-2-1-3-16(12-14)22-15-6-10-20(11-7-15)17(21)13-4-8-19-9-5-13/h1-5,8-9,12,15H,6-7,10-11H2
• InChIKey: XCTUDKNNYWPPML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(3-fluorophenoxy)piperidine-1-carbonyl]pyridine
• IUPAC Traditional name: 4-[4-(3-fluorophenoxy)piperidine-1-carbonyl]pyridine
• Synonyms: 4-{[4-(3-fluorophenoxy)-1-piperidinyl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8456087
• LogD (pH = 7.4): 1.8484427
• Log P: 1.8484789
• Molar Refractivity: 80.9735 cm^3
• Polarizability: 30.69077 Å^3
• Polar Surface Area: 42.43 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: 1.47
• LOG S: -2.65
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3