3-(3-methoxypropyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine

• ChemBase ID: 325346
• Molecular Formular: C13H22N2OS
• Molecular Mass: 254.39158
• Monoisotopic Mass: 254.14528433
• SMILES: c1(nc(cs1)C)N1CC(CCC1)CCCOC
• Canonical SMILES: COCCCC1CCCN(C1)c1scc(n1)C
• InChI: InChI=1S/C13H22N2OS/c1-11-10-17-13(14-11)15-7-3-5-12(9-15)6-4-8-16-2/h10,12H,3-9H2,1-2H3
• InChIKey: IOJPENRGWQBMAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxypropyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine
• IUPAC Traditional name: 3-(3-methoxypropyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine
• Synonyms: 3-(3-methoxypropyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.865206
• LogD (pH = 7.4): 2.8666089
• Log P: 2.8666267
• Molar Refractivity: 72.2553 cm^3
• Polarizability: 27.533873 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: 2
• H Donor: 0
• Log P: 1.95
• LOG S: -4.87
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5