2-[({1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-3-yl}oxy)methyl]pyridine

• ChemBase ID: 414460
• Molecular Formular: C20H20FN3OS
• Molecular Mass: 369.4557032
• Monoisotopic Mass: 369.1311115
• SMILES: c1(nc(cs1)c1ccc(cc1)F)N1CC(OCc2ncccc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)c1csc(n1)N1CCCC(C1)OCc1ccccn1
• InChI: InChI=1S/C20H20FN3OS/c21-16-8-6-15(7-9-16)19-14-26-20(23-19)24-11-3-5-18(12-24)25-13-17-4-1-2-10-22-17/h1-2,4,6-10,14,18H,3,5,11-13H2
• InChIKey: RMRHYUBYBREOCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[({1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-3-yl}oxy)methyl]pyridine
• IUPAC Traditional name: 2-[({1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-3-yl}oxy)methyl]pyridine
• Synonyms: 2-[({1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-piperidinyl}oxy)methyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.598653
• LogD (pH = 7.4): 4.606866
• Log P: 4.6069717
• Molar Refractivity: 100.3371 cm^3
• Polarizability: 39.531933 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.67
• LOG S: -2.87
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 5