(6S)-6-Hydroxy-8-{4-[4-(2-Pyrimidinyl)-1-Piperazinyl]Butyl}-8-Azaspiro[4.5]Decane-7,9-Dione

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Properties Simple | Detailed

Formula C21H31N5O3
IUPAC Name (10s)-10-hydroxy-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular Mass 401.503 g·mol−1
Heat of Formation -455.6 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 492.12 Å 3
Surface Area 420.98 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-6-hydroxy-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
  • (6s)-6-hydroxy-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-quinone
  • (6s)-6-hydroxy-8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione
InChIKey KOZNAHJIJGCFJJ-GOSISDBHSA-N
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