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

• ChemBase ID: 542593
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: c1(C2CN(CCCOc3cc(OC)ccc3)CCC2)n(ccn1)CC
• Canonical SMILES: COc1cccc(c1)OCCCN1CCCC(C1)c1nccn1CC
• InChI: InChI=1S/C20H29N3O2/c1-3-23-13-10-21-20(23)17-7-5-11-22(16-17)12-6-14-25-19-9-4-8-18(15-19)24-2/h4,8-10,13,15,17H,3,5-7,11-12,14,16H2,1-2H3
• InChIKey: NCYIYUVYLSFLJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6957685
• LogD (pH = 7.4): 1.3477589
• Log P: 2.747196
• Molar Refractivity: 100.5519 cm^3
• Polarizability: 38.98611 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.09
• LOG S: -3.33
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 8