N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylbutanamide

• ChemBase ID: 601806
• Molecular Formular: C17H25FN2O
• Molecular Mass: 292.3916032
• Monoisotopic Mass: 292.19509165
• SMILES: N1(Cc2c(F)cccc2)CC(N(C(=O)CCC)C)CCC1
• Canonical SMILES: CCCC(=O)N(C1CCCN(C1)Cc1ccccc1F)C
• InChI: InChI=1S/C17H25FN2O/c1-3-7-17(21)19(2)15-9-6-11-20(13-15)12-14-8-4-5-10-16(14)18/h4-5,8,10,15H,3,6-7,9,11-13H2,1-2H3
• InChIKey: FKJZRVFEHKZTDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylbutanamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylbutanamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methylbutanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9444604
• LogD (pH = 7.4): 2.5722947
• Log P: 2.9135525
• Molar Refractivity: 83.5465 cm^3
• Polarizability: 32.237362 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.43
• LOG S: -1.99
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3