BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

4-[(2-fluorophenyl)methyl]piperazin-2-one

4-[(2-fluorophenyl)methyl]piperazin-2-one bmse012172 - Data

4-[(2-fluorophenyl)methyl]piperazin-2-one synonyms

Wikipedia:

Graphical representations:

4-[(2-fluorophenyl)methyl]piperazin-2-one

View large 3D structure

Molecular Formula: C11H13FN2O

Natural Isotopic Abundance Mass: 208.23212319999993

Mono-Isotopic Molecular Masses:

  • C12N14: 208.101191266
  • C13N14: 219.13809448400005
  • C12N15: 210.095261052
  • C13N15: 221.13216427000006

InChI string: InChI=1S/C11H13FN2O/c12-10-4-2-1-3-9(10)7-14-6-5-13-11(15)8-14/h1-4H,5-8H2,(H,13,15)

EU-OPENSCREEN: EOS102900

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)