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

• ChemBase ID: 553899
• Molecular Formular: C17H22N2O2S
• Molecular Mass: 318.43378
• Monoisotopic Mass: 318.14019895
• SMILES: c1(nccs1)C1N(CCOc2ccc(cc2)OC)CCCC1
• Canonical SMILES: COc1ccc(cc1)OCCN1CCCCC1c1nccs1
• InChI: InChI=1S/C17H22N2O2S/c1-20-14-5-7-15(8-6-14)21-12-11-19-10-3-2-4-16(19)17-18-9-13-22-17/h5-9,13,16H,2-4,10-12H2,1H3
• InChIKey: APCWYMCTIFWSKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3479736
• LogD (pH = 7.4): 2.9182665
• Log P: 3.1953025
• Molar Refractivity: 88.0388 cm^3
• Polarizability: 34.57886 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 3.38
• LOG S: -3.4