1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-(3-methylphenyl)piperidine

• ChemBase ID: 365512
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: c1(n(ccn1)CCOC)CN1CC(c2cc(ccc2)C)CCC1
• Canonical SMILES: COCCn1ccnc1CN1CCCC(C1)c1cccc(c1)C
• InChI: InChI=1S/C19H27N3O/c1-16-5-3-6-17(13-16)18-7-4-9-21(14-18)15-19-20-8-10-22(19)11-12-23-2/h3,5-6,8,10,13,18H,4,7,9,11-12,14-15H2,1-2H3
• InChIKey: XLCRAVLDEXQJMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-(3-methylphenyl)piperidine
• IUPAC Traditional name: 1-{[1-(2-methoxyethyl)imidazol-2-yl]methyl}-3-(3-methylphenyl)piperidine
• Synonyms: 1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-(3-methylphenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.67072517
• LogD (pH = 7.4): 2.3225763
• Log P: 2.908604
• Molar Refractivity: 94.5725 cm^3
• Polarizability: 36.41397 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.12
• LOG S: -3.14
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6