1-methyl-4-{3-[2-(1-phenylethyl)-1H-imidazol-1-yl]propoxy}piperidine

• ChemBase ID: 864696
• Molecular Formular: C20H29N3O
• Molecular Mass: 327.46376
• Monoisotopic Mass: 327.23106256
• SMILES: c1(n(ccn1)CCCOC1CCN(CC1)C)C(c1ccccc1)C
• Canonical SMILES: CN1CCC(CC1)OCCCn1ccnc1C(c1ccccc1)C
• InChI: InChI=1S/C20H29N3O/c1-17(18-7-4-3-5-8-18)20-21-11-15-23(20)12-6-16-24-19-9-13-22(2)14-10-19/h3-5,7-8,11,15,17,19H,6,9-10,12-14,16H2,1-2H3
• InChIKey: GXWDQZVJFZJBHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4659824
• LogD (pH = 7.4): 0.9309235
• Log P: 2.618633
• Molar Refractivity: 99.0066 cm^3
• Polarizability: 38.336483 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.4
• LOG S: -2.63
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7