4-(2-fluorophenoxy)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine

• ChemBase ID: 519294
• Molecular Formular: C17H21FN2OS
• Molecular Mass: 320.4248432
• Monoisotopic Mass: 320.13586252
• SMILES: n1c(scc1CCN1CCC(Oc2c(F)cccc2)CC1)C
• Canonical SMILES: Cc1scc(n1)CCN1CCC(CC1)Oc1ccccc1F
• InChI: InChI=1S/C17H21FN2OS/c1-13-19-14(12-22-13)6-9-20-10-7-15(8-11-20)21-17-5-3-2-4-16(17)18/h2-5,12,15H,6-11H2,1H3
• InChIKey: WEUIRXQVZLGZEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluorophenoxy)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine
• IUPAC Traditional name: 4-(2-fluorophenoxy)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine
• Synonyms: 4-(2-fluorophenoxy)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5061715
• LogD (pH = 7.4): 2.243263
• Log P: 2.809898
• Molar Refractivity: 86.6276 cm^3
• Polarizability: 33.406673 Å^3
• Polar Surface Area: 25.36 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: 3.14
• LOG S: -4.01
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5