Methyl 1-(4-((2,4-Diaminopteridin-6-Ylmethyl)Methylamino)Benzoyl)Piperidine-4-Carboxylate

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Properties Simple | Detailed

Formula C22H26N8O3
IUPAC Name methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]piperidine-4-carboxylate
Molecular Mass 450.494 g·mol−1
Heat of Formation -168.9 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 520.81 Å 3
Surface Area 424.95 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]isonipecotic acid methyl ester
  • 1-[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester
  • methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylpiperidine-4-carboxylate
  • methyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]piperidine-4-carboxylate
InChIKey UKCFUFHREWUXJJ-UHFFFAOYSA-N
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