1-({1-[2-(Trifluoromethyl)-4-Pyrimidinyl]-4-Piperidinyl}Methyl)-2-Pyrrolidinone

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Properties Simple | Detailed

Formula C15H19F3N4O
IUPAC Name 1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]-4-piperidyl]methyl]pyrrolidin-2-one
Molecular Mass 328.333 g·mol−1
Heat of Formation -709.2 ± 16.7 kJ·mol−1
Dipole Moment 10.02 ± 1.08 D
Volume 370.78 Å 3
Surface Area 326.13 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1-(2-fluoromethyl)-4-pyrimidinyl)-4-piperidinylmethyl-2-pyrrolidinone
  • 1-[[1-[2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-2-pyrrolidinone
  • 1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]-4-piperidyl]methyl]-2-pyrrolidone
  • 1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
  • 2-pyrrolidinone, 1-((1-(2-(trifluoromethyl)-4-pyrimidinyl)-4-piperidinyl)methyl)-
  • bms-181168
  • bmy 21502
  • bmy-21502
CAS Number(s)
  • 123259-91-6
InChIKey KEWFMWJJMGQBAN-UHFFFAOYSA-N
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