5-({4-[(2-fluorophenyl)methyl]piperidin-1-yl}methyl)-2-methylpyridine

• ChemBase ID: 548884
• Molecular Formular: C19H23FN2
• Molecular Mass: 298.3977232
• Monoisotopic Mass: 298.18452697
• SMILES: N1(Cc2cnc(cc2)C)CCC(Cc2c(F)cccc2)CC1
• Canonical SMILES: Cc1ccc(cn1)CN1CCC(CC1)Cc1ccccc1F
• InChI: InChI=1S/C19H23FN2/c1-15-6-7-17(13-21-15)14-22-10-8-16(9-11-22)12-18-4-2-3-5-19(18)20/h2-7,13,16H,8-12,14H2,1H3
• InChIKey: FKIMMZPIDXYXOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({4-[(2-fluorophenyl)methyl]piperidin-1-yl}methyl)-2-methylpyridine
• IUPAC Traditional name: 5-({4-[(2-fluorophenyl)methyl]piperidin-1-yl}methyl)-2-methylpyridine
• Synonyms: 5-{[4-(2-fluorobenzyl)-1-piperidinyl]methyl}-2-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7815758
• LogD (pH = 7.4): 2.531014
• Log P: 3.6868002
• Molar Refractivity: 88.6383 cm^3
• Polarizability: 34.05394 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.25
• LOG S: -4.02
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4