1-[(2S)-2-(1-Pyrrolidinylmethyl)-1-Piperidinyl]-2-[4-(Trifluoromethyl)Phenyl]Ethanone

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Properties Simple | Detailed

Formula C19H25F3N2O
IUPAC Name 1-[(2s)-2-(pyrrolidin-1-ylmethyl)-1-piperidyl]-2-[4-(trifluoromethyl)phenyl]ethanone
Molecular Mass 354.410 g·mol−1
Heat of Formation -832.6 ± 16.7 kJ·mol−1
Dipole Moment 7.34 ± 1.08 D
Volume 420.44 Å 3
Surface Area 346.51 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s)-2-(pyrrolidin-1-ylmethyl)-1-piperidyl]-2-[4-(trifluoromethyl)phenyl]ethanone
  • 1-[(2s)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
InChIKey RFTWMVGLYKJUCZ-KRWDZBQOSA-N
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