N-(4-fluorophenyl)-1-(pyridine-3-carbonyl)piperidin-3-amine

• ChemBase ID: 651265
• Molecular Formular: C17H18FN3O
• Molecular Mass: 299.3427232
• Monoisotopic Mass: 299.14339043
• SMILES: N1(C(=O)c2cnccc2)CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)c1cccnc1
• InChI: InChI=1S/C17H18FN3O/c18-14-5-7-15(8-6-14)20-16-4-2-10-21(12-16)17(22)13-3-1-9-19-11-13/h1,3,5-9,11,16,20H,2,4,10,12H2
• InChIKey: APRHKGIDSADXNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-(pyridine-3-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(pyridine-3-carbonyl)piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-(3-pyridinylcarbonyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8725661
• LogD (pH = 7.4): 1.9354761
• Log P: 1.9363313
• Molar Refractivity: 84.4833 cm^3
• Polarizability: 31.143208 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.35
• LOG S: -4.01
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3