1-[(4-propan-2-ylphenyl)methyl]piperidin-4-ol

1-[(4-propan-2-ylphenyl)methyl]piperidin-4-ol bmse011313 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

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Graphical representations:

NMR

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Molecular Formula: C15H23NO

Natural Isotopic Abundance Mass: 233.34921999999975

Mono-Isotopic Molecular Masses:

  • C12N14: 233.177964361
  • C13N14: 248.22828693100007
  • C12N15: 234.174999254
  • C13N15: 249.22532182400008

InChI string: InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3

IUPAC: 1-[(4-propan-2-ylphenyl)methyl]piperidin-4-ol

wwPDB CCD: O0M

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)