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-[(4-fluorophenyl)methyl]piperidin-4-yl]methanol

[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanol bmse012591 - Data

[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanol synonyms

Wikipedia:

Graphical representations:

[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanol

View large 3D structure

Molecular Formula: C13H18FNO

Natural Isotopic Abundance Mass: 223.28652319999995

Mono-Isotopic Molecular Masses:

  • C12N14: 223.137242421
  • C13N14: 236.18085531500006
  • C12N15: 224.134277314
  • C13N15: 237.17789020800006

InChI string: InChI=1S/C13H18FNO/c14-13-3-1-11(2-4-13)9-15-7-5-12(10-16)6-8-15/h1-4,12,16H,5-10H2

IUPAC: b'[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanol'

EU-OPENSCREEN: EOS103404

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)