2-({4-[(4-fluorophenyl)methyl]piperidin-1-yl}methyl)-6-methylpyridine

• ChemBase ID: 648228
• Molecular Formular: C19H23FN2
• Molecular Mass: 298.3977232
• Monoisotopic Mass: 298.18452697
• SMILES: n1c(CN2CCC(Cc3ccc(F)cc3)CC2)cccc1C
• Canonical SMILES: Fc1ccc(cc1)CC1CCN(CC1)Cc1cccc(n1)C
• InChI: InChI=1S/C19H23FN2/c1-15-3-2-4-19(21-15)14-22-11-9-17(10-12-22)13-16-5-7-18(20)8-6-16/h2-8,17H,9-14H2,1H3
• InChIKey: UXWMOFDKRIUWHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({4-[(4-fluorophenyl)methyl]piperidin-1-yl}methyl)-6-methylpyridine
• IUPAC Traditional name: 2-({4-[(4-fluorophenyl)methyl]piperidin-1-yl}methyl)-6-methylpyridine
• Synonyms: 2-{[4-(4-fluorobenzyl)-1-piperidinyl]methyl}-6-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3215581
• LogD (pH = 7.4): 3.082812
• Log P: 3.768272
• Molar Refractivity: 88.1161 cm^3
• Polarizability: 34.05302 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: -4.12
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4