4-Cycloheptyl-6-[3-(1-Piperidinyl)Propyl]-2-Pyrimidinecarbonitrile

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Properties Simple | Detailed

Formula C20H30N4
IUPAC Name 4-cycloheptyl-6-[3-(1-piperidyl)propyl]pyrimidine-2-carbonitrile
Molecular Mass 326.479 g·mol−1
Heat of Formation 146.2 ± 16.7 kJ·mol−1
Dipole Moment 6.68 ± 1.08 D
Volume 433.99 Å 3
Surface Area 390.37 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile
  • 4-cycloheptyl-6-(3-piperidinopropyl)pyrimidine-2-carbonitrile
  • 4-cycloheptyl-6-[3-(1-piperidyl)propyl]-2-pyrimidinecarbonitrile
InChIKey UTNIKRVBYGTXDR-UHFFFAOYSA-N
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Elements H C N