N-({1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl}methyl)-N,2-dimethylbenzamide

• ChemBase ID: 632526
• Molecular Formular: C23H29FN2O
• Molecular Mass: 368.4875632
• Monoisotopic Mass: 368.22639178
• SMILES: C(=O)(N(CC1CCN(CCc2c(F)cccc2)CC1)C)c1c(C)cccc1
• Canonical SMILES: Fc1ccccc1CCN1CCC(CC1)CN(C(=O)c1ccccc1C)C
• InChI: InChI=1S/C23H29FN2O/c1-18-7-3-5-9-21(18)23(27)25(2)17-19-11-14-26(15-12-19)16-13-20-8-4-6-10-22(20)24/h3-10,19H,11-17H2,1-2H3
• InChIKey: BHNGNVIUUIRQLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl}methyl)-N,2-dimethylbenzamide
• IUPAC Traditional name: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl}methyl)-N,2-dimethylbenzamide
• Synonyms: N-({1-[2-(2-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N,2-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5153072
• LogD (pH = 7.4): 3.2580078
• Log P: 4.4279027
• Molar Refractivity: 109.8241 cm^3
• Polarizability: 41.465736 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.85
• LOG S: -4.48
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6