2-{2-[2-(4-fluorophenyl)piperidin-1-yl]ethyl}pyridine

• ChemBase ID: 764564
• Molecular Formular: C18H21FN2
• Molecular Mass: 284.3711432
• Monoisotopic Mass: 284.1688769
• SMILES: N1(C(c2ccc(cc2)F)CCCC1)CCc1ncccc1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1CCc1ccccn1
• InChI: InChI=1S/C18H21FN2/c19-16-9-7-15(8-10-16)18-6-2-4-13-21(18)14-11-17-5-1-3-12-20-17/h1,3,5,7-10,12,18H,2,4,6,11,13-14H2
• InChIKey: DZVRMRQGJVPLIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.69442976
• LogD (pH = 7.4): 2.371302
• Log P: 3.792763
• Molar Refractivity: 83.2622 cm^3
• Polarizability: 32.285656 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.3
• LOG S: -1.78
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4