3-methyl-1-(1-methyl-1H-imidazole-2-carbonyl)-3-phenylpiperidine

• ChemBase ID: 649002
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: c1(C(=O)N2CC(c3ccccc3)(CCC2)C)n(ccn1)C
• Canonical SMILES: Cn1ccnc1C(=O)N1CCCC(C1)(C)c1ccccc1
• InChI: InChI=1S/C17H21N3O/c1-17(14-7-4-3-5-8-14)9-6-11-20(13-17)16(21)15-18-10-12-19(15)2/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3
• InChIKey: NNCGSCHLWYHAGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(1-methyl-1H-imidazole-2-carbonyl)-3-phenylpiperidine
• IUPAC Traditional name: 3-methyl-1-(1-methylimidazole-2-carbonyl)-3-phenylpiperidine
• Synonyms: 3-methyl-1-[(1-methyl-1H-imidazol-2-yl)carbonyl]-3-phenylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4794898
• LogD (pH = 7.4): 2.4811122
• Log P: 2.481133
• Molar Refractivity: 83.3652 cm^3
• Polarizability: 31.658897 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.31
• LOG S: -4.2
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 2