Cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

Cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone bmse011656 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C14H17FN2O

Natural Isotopic Abundance Mass: 248.2959831999998

Mono-Isotopic Molecular Masses:

  • C12N14: 248.132491394
  • C13N14: 262.17945912600027
  • C12N15: 250.12656118
  • C13N15: 264.17352891200034

InChI string: InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2

IUPAC: cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

wwPDB CCD: GX4

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)