1-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-3-methyl-3-phenylpiperidine

• ChemBase ID: 446532
• Molecular Formular: C19H25N3
• Molecular Mass: 295.4219
• Monoisotopic Mass: 295.20484782
• SMILES: n1(c(CN2CC(c3ccccc3)(CCC2)C)cnc1)C1CC1
• Canonical SMILES: CC1(CCCN(C1)Cc1cncn1C1CC1)c1ccccc1
• InChI: InChI=1S/C19H25N3/c1-19(16-6-3-2-4-7-16)10-5-11-21(14-19)13-18-12-20-15-22(18)17-8-9-17/h2-4,6-7,12,15,17H,5,8-11,13-14H2,1H3
• InChIKey: RENXEIQYHBOICP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-3-methyl-3-phenylpiperidine
• IUPAC Traditional name: 1-[(3-cyclopropylimidazol-4-yl)methyl]-3-methyl-3-phenylpiperidine
• Synonyms: 1-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-3-methyl-3-phenylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.20189705
• LogD (pH = 7.4): 1.8200824
• Log P: 3.132558
• Molar Refractivity: 90.6476 cm^3
• Polarizability: 35.087055 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.73
• LOG S: -3.79
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4