(2R)-2-Amino-1-(4-{3-[4-(Cyclopropylcarbonyl)Phenoxy]Propyl}-1-Piperazinyl)-1-Propanone

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Properties Simple | Detailed

Formula C20H29N3O3
IUPAC Name (2r)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one
Molecular Mass 359.463 g·mol−1
Heat of Formation -334.4 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 451.98 Å 3
Surface Area 406.46 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-1-[4-[3-(4-cyclopropylcarbonylphenoxy)propyl]piperazin-1-yl]propan-1-one
  • (2r)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one
  • (2r)-2-amino-1-[4-[3-[4-(cyclopropyl-oxomethyl)phenoxy]propyl]-1-piperazinyl]propan-1-one
InChIKey KPXVCGPCRXEDLT-OAHLLOKOSA-N
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