1-{4-Amino-5-Chloro-2-[(3,5-Dimethoxybenzyl)Oxy]Phenyl}-5-(1-Piperidinyl)-1-Pentanone

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Properties Simple | Detailed

Formula C25H33ClN2O4
IUPAC Name 1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(1-piperidyl)pentan-1-one
Molecular Mass 460.994 g·mol−1
Heat of Formation -613.2 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 562.82 Å 3
Surface Area 419.51 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-amino-5-chloro-2-(3,5-dimethoxybenzyl)oxy-phenyl]-5-piperidino-pentan-1-one
  • 1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-piperidin-1-yl-pentan-1-one
  • 1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-piperidin-1-ylpentan-1-one
  • pdsp1_000074
  • pdsp2_000074
InChIKey WYNFRQRHCRBFCL-UHFFFAOYSA-N
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Elements H C N O Cl