4-(benzyloxy)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine

• ChemBase ID: 402976
• Molecular Formular: C17H20N2O2S
• Molecular Mass: 316.4179
• Monoisotopic Mass: 316.12454889
• SMILES: c1(C(=O)N2CCC(CC2)OCc2ccccc2)sc(nc1)C
• Canonical SMILES: Cc1ncc(s1)C(=O)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C17H20N2O2S/c1-13-18-11-16(22-13)17(20)19-9-7-15(8-10-19)21-12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3
• InChIKey: IHJJIVNBYCHVFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine
• Synonyms: 4-(benzyloxy)-1-[(2-methyl-1,3-thiazol-5-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8710719
• LogD (pH = 7.4): 1.8711928
• Log P: 1.8711944
• Molar Refractivity: 87.4511 cm^3
• Polarizability: 33.328194 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.55
• LOG S: -2.83
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4