3-{[4-(3-fluorophenoxy)piperidin-1-yl]methyl}pyridine

• ChemBase ID: 715911
• Molecular Formular: C17H19FN2O
• Molecular Mass: 286.3439632
• Monoisotopic Mass: 286.14814146
• SMILES: N1(Cc2cnccc2)CCC(Oc2cc(F)ccc2)CC1
• Canonical SMILES: Fc1cccc(c1)OC1CCN(CC1)Cc1cccnc1
• InChI: InChI=1S/C17H19FN2O/c18-15-4-1-5-17(11-15)21-16-6-9-20(10-7-16)13-14-3-2-8-19-12-14/h1-5,8,11-12,16H,6-7,9-10,13H2
• InChIKey: AARPNVZDUIZVIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[4-(3-fluorophenoxy)piperidin-1-yl]methyl}pyridine
• IUPAC Traditional name: 3-{[4-(3-fluorophenoxy)piperidin-1-yl]methyl}pyridine
• Synonyms: 3-{[4-(3-fluorophenoxy)-1-piperidinyl]methyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.116899714
• LogD (pH = 7.4): 1.8678719
• Log P: 2.4918833
• Molar Refractivity: 80.6444 cm^3
• Polarizability: 31.192415 Å^3
• Polar Surface Area: 25.36 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: 2.55
• LOG S: -1.16
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4