2-piperidin-1-yl-5-(trifluoromethyl)aniline

2-piperidin-1-yl-5-(trifluoromethyl)aniline bmse011377 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H15F3N2

Natural Isotopic Abundance Mass: 244.2561095999998

Mono-Isotopic Molecular Masses:

  • C12N14: 244.11873315
  • C13N14: 256.15899120600005
  • C12N15: 246.112802936
  • C13N15: 258.1530609920001

InChI string: InChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2

IUPAC: 2-piperidin-1-yl-5-(trifluoromethyl)aniline

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)