1-[2-(4-fluorophenyl)piperidin-1-yl]-3-(pyridin-3-yl)propan-1-one

• ChemBase ID: 398340
• Molecular Formular: C19H21FN2O
• Molecular Mass: 312.3812432
• Monoisotopic Mass: 312.16379152
• SMILES: N1(C(=O)CCc2cnccc2)C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1C(=O)CCc1cccnc1
• InChI: InChI=1S/C19H21FN2O/c20-17-9-7-16(8-10-17)18-5-1-2-13-22(18)19(23)11-6-15-4-3-12-21-14-15/h3-4,7-10,12,14,18H,1-2,5-6,11,13H2
• InChIKey: DIAVGFZKBOOMKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-(pyridin-3-yl)propan-1-one
• IUPAC Traditional name: 1-[2-(4-fluorophenyl)piperidin-1-yl]-3-(pyridin-3-yl)propan-1-one
• Synonyms: 3-{3-[2-(4-fluorophenyl)-1-piperidinyl]-3-oxopropyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1636963
• LogD (pH = 7.4): 3.2542858
• Log P: 3.255608
• Molar Refractivity: 88.0665 cm^3
• Polarizability: 33.87994 Å^3
• Polar Surface Area: 33.2 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: 3.08
• LOG S: -2.81
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4