3-[2-(3-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)piperidine

• ChemBase ID: 761103
• Molecular Formular: C16H19FN2S
• Molecular Mass: 290.3988632
• Monoisotopic Mass: 290.12529784
• SMILES: c1(N2CC(CCc3cc(F)ccc3)CCC2)nccs1
• Canonical SMILES: Fc1cccc(c1)CCC1CCCN(C1)c1nccs1
• InChI: InChI=1S/C16H19FN2S/c17-15-5-1-3-13(11-15)6-7-14-4-2-9-19(12-14)16-18-8-10-20-16/h1,3,5,8,10-11,14H,2,4,6-7,9,12H2
• InChIKey: FXTUPINLZQTZSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)piperidine
• IUPAC Traditional name: 3-[2-(3-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)piperidine
• Synonyms: 3-[2-(3-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8035216
• LogD (pH = 7.4): 4.805292
• Log P: 4.8053145
• Molar Refractivity: 81.2953 cm^3
• Polarizability: 30.57299 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: 1
• H Donor: 0
• Log P: 3.83
• LOG S: -4.59
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4