Methyl (3R)-4-[(3,4-Dichlorophenyl)Acetyl]-3-(1-Pyrrolidinylmethyl)-1-Piperazinecarboxylate

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Properties Simple | Detailed

Formula C19H25Cl2N3O3
IUPAC Name methyl (3r)-4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
Molecular Mass 414.326 g·mol−1
Heat of Formation -524.8 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 477.92 Å 3
Surface Area 401.86 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-4-[2-(3,4-dichlorophenyl)-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester
  • (3r)-4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid methyl ester
  • methyl (3r)-4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
  • methyl (3r)-4-[2-(3,4-dichlorophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
  • tocris-1483
InChIKey HJUAKZYKCANOOZ-OAHLLOKOSA-N
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