1-(4-methylphenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea

1-(4-methylphenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea bmse012341 - Data

1-(4-methylphenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea synonyms

Wikipedia:

Graphical representations:

1-(4-methylphenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea

View large 3D structure

Molecular Formula: C14H21N3O

Natural Isotopic Abundance Mass: 247.33603999999994

Mono-Isotopic Molecular Masses:

  • C12N14: 247.168462307
  • C13N14: 261.21543003900007
  • C12N15: 250.15956698600002
  • C13N15: 264.20653471800006

InChI string: InChI=1S/C14H21N3O/c1-11-4-6-13(7-5-11)17-14(18)16-10-12-3-2-8-15-9-12/h4-7,12,15H,2-3,8-10H2,1H3,(H2,16,17,18)/t12-/m0/s1

EU-OPENSCREEN: EOS103088

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)