5-[2-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 355012
• Molecular Formular: C17H18FN3O
• Molecular Mass: 299.3427232
• Monoisotopic Mass: 299.14339043
• SMILES: N1(C(=O)c2cnc(cc2)N)C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1C(=O)c1ccc(nc1)N
• InChI: InChI=1S/C17H18FN3O/c18-14-7-4-12(5-8-14)15-3-1-2-10-21(15)17(22)13-6-9-16(19)20-11-13/h4-9,11,15H,1-3,10H2,(H2,19,20)
• InChIKey: OAZGPASKMGADCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: 5-[2-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: 5-{[2-(4-fluorophenyl)-1-piperidinyl]carbonyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 2.412637
• LogD (pH = 7.4): 2.5934846
• Log P: 2.5964057
• Molar Refractivity: 84.428 cm^3
• Polarizability: 31.138117 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 1
• Log P: 2.31
• LOG S: -3.36
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 2
• H Acceptors: 2