3-[2-(1-Benzyl-4-Piperidinyl)Ethyl]-6-Methoxy-1,2-Benzoxazole

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Properties Simple | Detailed

Formula C22H26N2O2
IUPAC Name 3-[2-(1-benzyl-4-piperidyl)ethyl]-6-methoxy-1,2-benzoxazole
Molecular Mass 350.454 g·mol−1
Heat of Formation 20.7 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 443.55 Å 3
Surface Area 390.98 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-[1-(benzyl)-4-piperidyl]ethyl]-6-methoxy-indoxazene
  • 6-methoxy-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1,2-benzoxazole
  • 6-methoxy-3-[2-[1-(phenylmethyl)-4-piperidyl]ethyl]-1,2-benzoxazole
  • 6-methoxy-3-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazole
InChIKey VFDQMJCSKFAKRY-UHFFFAOYSA-N
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