N-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine

• ChemBase ID: 642233
• Molecular Formular: C19H27FN4
• Molecular Mass: 330.4428832
• Monoisotopic Mass: 330.2219751
• SMILES: c1(n(ccn1)CC)CN(C1CN(Cc2c(F)cccc2)CCC1)C
• Canonical SMILES: CCn1ccnc1CN(C1CCCN(C1)Cc1ccccc1F)C
• InChI: InChI=1S/C19H27FN4/c1-3-24-12-10-21-19(24)15-22(2)17-8-6-11-23(14-17)13-16-7-4-5-9-18(16)20/h4-5,7,9-10,12,17H,3,6,8,11,13-15H2,1-2H3
• InChIKey: CHYHXNVGQHSKEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine
• IUPAC Traditional name: N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine
• Synonyms: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-(2-fluorobenzyl)-N-methyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.17918201
• LogD (pH = 7.4): 1.9354528
• Log P: 2.801207
• Molar Refractivity: 96.5871 cm^3
• Polarizability: 37.03943 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.25
• LOG S: -1.75
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 5