BMRB

Biological Magnetic Resonance Data Bank


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

1-[(2-methoxyphenyl)methyl]piperazine

1-[(2-methoxyphenyl)methyl]piperazine bmse011871 - Data

1-[(2-methoxyphenyl)methyl]piperazine synonyms

Wikipedia:

Graphical representations:

1-[(2-methoxyphenyl)methyl]piperazine

View large 3D structure

Molecular Formula: C12H18N2O

Natural Isotopic Abundance Mass: 206.28411999999997

Mono-Isotopic Molecular Masses:

  • C12N14: 206.141913206
  • C13N14: 218.18217126200005
  • C12N15: 208.135982992
  • C13N15: 220.17624104800007

InChI string: InChI=1S/C12H18N2O/c1-15-12-5-3-2-4-11(12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3

IUPAC: b'1-[(2-methoxyphenyl)methyl]piperazine'

EU-OPENSCREEN: EOS102574

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)