[2-(3-methyl-3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanol

• ChemBase ID: 364991
• Molecular Formular: C16H20N2OS
• Molecular Mass: 288.4078
• Monoisotopic Mass: 288.12963427
• SMILES: c1(nc(cs1)CO)N1CC(c2ccccc2)(CCC1)C
• Canonical SMILES: OCc1csc(n1)N1CCCC(C1)(C)c1ccccc1
• InChI: InChI=1S/C16H20N2OS/c1-16(13-6-3-2-4-7-13)8-5-9-18(12-16)15-17-14(10-19)11-20-15/h2-4,6-7,11,19H,5,8-10,12H2,1H3
• InChIKey: GXPXTZQBWSGYFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-methyl-3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanol
• IUPAC Traditional name: [2-(3-methyl-3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanol
• Synonyms: [2-(3-methyl-3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.990072
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4653878
• LogD (pH = 7.4): 3.4655955
• Log P: 3.4655983
• Molar Refractivity: 82.5687 cm^3
• Polarizability: 31.525667 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.22
• LOG S: -5.11
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 3