5-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}pyridin-2-ol

• ChemBase ID: 423059
• Molecular Formular: C19H21FN2O2
• Molecular Mass: 328.3806432
• Monoisotopic Mass: 328.15870614
• SMILES: N1(C(=O)c2cnc(cc2)O)CC(CCc2c(F)cccc2)CCC1
• Canonical SMILES: Oc1ccc(cn1)C(=O)N1CCCC(C1)CCc1ccccc1F
• InChI: InChI=1S/C19H21FN2O2/c20-17-6-2-1-5-15(17)8-7-14-4-3-11-22(13-14)19(24)16-9-10-18(23)21-12-16/h1-2,5-6,9-10,12,14H,3-4,7-8,11,13H2,(H,21,23)
• InChIKey: BPXBVGPESDQPCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}pyridin-2-ol
• IUPAC Traditional name: 5-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}pyridin-2-ol
• Synonyms: 5-({3-[2-(2-fluorophenyl)ethyl]-1-piperidinyl}carbonyl)-2-pyridinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.276273
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7254238
• LogD (pH = 7.4): 3.7248702
• Log P: 3.7254403
• Molar Refractivity: 91.1943 cm^3
• Polarizability: 34.22181 Å^3
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.68
• LOG S: -4.92
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 4