1-[2-(2-methoxyphenoxy)ethyl]-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 489170
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: c1(n(ccn1)C(C)C)C1CN(CCOc2c(OC)cccc2)CCC1
• Canonical SMILES: COc1ccccc1OCCN1CCCC(C1)c1nccn1C(C)C
• InChI: InChI=1S/C20H29N3O2/c1-16(2)23-12-10-21-20(23)17-7-6-11-22(15-17)13-14-25-19-9-5-4-8-18(19)24-3/h4-5,8-10,12,16-17H,6-7,11,13-15H2,1-3H3
• InChIKey: NHQLUZNIKDCMNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-methoxyphenoxy)ethyl]-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 3-(1-isopropylimidazol-2-yl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
• Synonyms: 3-(1-isopropyl-1H-imidazol-2-yl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.030470312
• LogD (pH = 7.4): 2.069031
• Log P: 3.1038113
• Molar Refractivity: 100.1053 cm^3
• Polarizability: 38.987366 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.03
• LOG S: -3.28
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 7