4-{3-[2-(3-methoxyphenyl)-1H-imidazol-1-yl]propoxy}-1-methylpiperidine

• ChemBase ID: 477321
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: c1(n(ccn1)CCCOC1CCN(CC1)C)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1nccn1CCCOC1CCN(CC1)C
• InChI: InChI=1S/C19H27N3O2/c1-21-11-7-17(8-12-21)24-14-4-10-22-13-9-20-19(22)16-5-3-6-18(15-16)23-2/h3,5-6,9,13,15,17H,4,7-8,10-12,14H2,1-2H3
• InChIKey: RCYOPVWNZKUBJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[2-(3-methoxyphenyl)-1H-imidazol-1-yl]propoxy}-1-methylpiperidine
• IUPAC Traditional name: 4-{3-[2-(3-methoxyphenyl)imidazol-1-yl]propoxy}-1-methylpiperidine
• Synonyms: 4-{3-[2-(3-methoxyphenyl)-1H-imidazol-1-yl]propoxy}-1-methylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7843857
• LogD (pH = 7.4): 0.36284143
• Log P: 1.9853412
• Molar Refractivity: 106.8343 cm^3
• Polarizability: 37.915257 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: 2.49
• LOG S: -2.72
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 7