1-(3,4-Dimethoxybenzyl)-6,7-Dimethoxy-4-{[4-(2-Methoxyphenyl)-1-Piperidinyl]Methyl}Isoquinoline

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Properties Simple | Detailed

Formula C33H38N2O5
IUPAC Name 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperidyl]methyl]isoquinoline
Molecular Mass 542.665 g·mol−1
Heat of Formation -459.7 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 672.3 Å 3
Surface Area 528.4 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperidyl]methyl]isoquinoline
  • 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}isoquinoline
  • 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperidinyl]methyl]isoquinoline
  • 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]isoquinoline
  • isoquinoline derivative pa-082
  • ro0
InChIKey DJEGOJNHRNRMHS-UHFFFAOYSA-N
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