5-[4-(2-Hydroxyethyl)-1-Piperidinyl]-5-Phenyl-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C17H21N3O4
IUPAC Name 5-[4-(2-hydroxyethyl)-1-piperidyl]-5-phenyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 331.366 g·mol−1
Heat of Formation -530.9 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 384.78 Å 3
Surface Area 325.1 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-5-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-5-phenyl-1h-pyrimidine-4,6-dione
  • 5-[4-(2-hydroxyethyl)-1-piperidinyl]-5-phenylhexahydropyrimidine-2,4,6-trione
  • 5-[4-(2-hydroxyethyl)-1-piperidyl]-5-phenyl-barbituric acid
  • 5-[4-(2-hydroxyethyl)-1-piperidyl]-5-phenyl-hexahydropyrimidine-2,4,6-trione
  • 5-[4-(2-hydroxyethyl)piperidin-1-yl]-5-phenyl-1,3-diazinane-2,4,6-trione
  • bbt
InChIKey IPBPOBHSNJFRFT-UHFFFAOYSA-N
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