4-(4-fluorophenyl)piperazine-1-carboxamide

4-(4-fluorophenyl)piperazine-1-carboxamide bmse011693 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H14FN3O

Natural Isotopic Abundance Mass: 223.24676319999986

Mono-Isotopic Molecular Masses:

  • C12N14: 223.112090303
  • C13N14: 234.14899352100005
  • C12N15: 226.10319498200002
  • C13N15: 237.14009820000007

InChI string: InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)

wwPDB CCD: O1M

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)