3-(2-phenylethyl)-1-(1,3-thiazol-2-yl)piperidine

• ChemBase ID: 701565
• Molecular Formular: C16H20N2S
• Molecular Mass: 272.4084
• Monoisotopic Mass: 272.13471965
• SMILES: c1(N2CC(CCc3ccccc3)CCC2)nccs1
• Canonical SMILES: c1ccc(cc1)CCC1CCCN(C1)c1nccs1
• InChI: InChI=1S/C16H20N2S/c1-2-5-14(6-3-1)8-9-15-7-4-11-18(13-15)16-17-10-12-19-16/h1-3,5-6,10,12,15H,4,7-9,11,13H2
• InChIKey: XXFDUAHNINRYNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-phenylethyl)-1-(1,3-thiazol-2-yl)piperidine
• IUPAC Traditional name: 3-(2-phenylethyl)-1-(1,3-thiazol-2-yl)piperidine
• Synonyms: 3-(2-phenylethyl)-1-(1,3-thiazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6608195
• LogD (pH = 7.4): 4.66259
• Log P: 4.662613
• Molar Refractivity: 81.0789 cm^3
• Polarizability: 30.915588 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: 3.78
• LOG S: -4.42
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4