benzyl({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)methylamine

• ChemBase ID: 498478
• Molecular Formular: C22H29FN2
• Molecular Mass: 340.4774632
• Monoisotopic Mass: 340.23147716
• SMILES: N1(CC(CN(Cc2ccccc2)C)CCC1)CCc1c(F)cccc1
• Canonical SMILES: CN(Cc1ccccc1)CC1CCCN(C1)CCc1ccccc1F
• InChI: InChI=1S/C22H29FN2/c1-24(16-19-8-3-2-4-9-19)17-20-10-7-14-25(18-20)15-13-21-11-5-6-12-22(21)23/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3
• InChIKey: ZZPFZWVEPGDDBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)methylamine
• IUPAC Traditional name: benzyl({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)methylamine
• Synonyms: N-benzyl-1-{1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl}-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6523743
• LogD (pH = 7.4): 1.9187282
• Log P: 4.5994425
• Molar Refractivity: 104.355 cm^3
• Polarizability: 40.26448 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.72
• LOG S: -3.48
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 7