(2S,3S)-N-{2-[(~18~F)Fluoromethoxy]-5-[5-(Trifluoromethyl)-1H-Tetrazol-1-Yl]Benzyl}-2-Phenyl-3-Piperidinamine

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Properties Simple | Detailed

Formula C21H22F4N6O
IUPAC Name (2s,3s)-n-[[2-(fluoromethoxy)-5-[5-(trifluoromethyl)-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine
Molecular Mass 450.433 g·mol−1
Heat of Formation -452.2 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 500.79 Å 3
Surface Area 384.01 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • [18f]l-829
  • [18f]spa-rq
  • [18f]substance-p antagonist-receptor quantifier
  • [2-[18f]fluoromethoxy-5-(5-trifluoromethyl-tetrazol-1-yl)benzyl]-([2s,3s]2-phenyl-piperidin-3-yl)-amine
InChIKey KSKJMSAKVZSMMV-LBXDGNDASA-N
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Elements H C N O F