(3R,3'R)-1,1'-[1,4-Phenylenebis(Methylene)]Bis(N-Benzyl-N-Methyl-3-Piperidinecarboxamide)

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Properties Simple | Detailed

Formula C36H46N4O2
IUPAC Name 2-[[[4-[[2-(2-methyleneaziridine-1-carbonyl)pent-3-ynylamino]methyl]phenyl]methylamino]methyl]pent-3-ynoyl-methylidyne-ammonium; prop-1-yne
Molecular Mass 566.776 g·mol−1
Heat of Formation -125.1 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 747.24 Å 3
Surface Area 603.65 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 3.12 ± eV
Point Group Symmetry C2
Synonyms
  • (3r)-n-(benzyl)-1-[4-[[(3r)-3-(benzyl-methyl-carbamoyl)-1-piperidyl]methyl]benzyl]-n-methyl-nipecotamide
  • (3r)-n-methyl-1-[[4-[[(3r)-3-(methyl-(phenylmethyl)carbamoyl)-1-piperidyl]methyl]phenyl]methyl]-n-(phenylmethyl)piperidine-3-carboxamide
  • (3r)-n-methyl-1-[[4-[[(3r)-3-(methyl-(phenylmethyl)carbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-n-(phenylmethyl)piperidine-3-carboxamide
  • (3r)-n-methyl-1-[[4-[[(3r)-3-[(methyl-(phenylmethyl)amino)-oxomethyl]-1-piperidinyl]methyl]phenyl]methyl]-n-(phenylmethyl)-3-piperidinecarboxamide
  • 3-piperidinecarboxamide, 1,1'-(1,4-phenylenebis(methylene))bis(n-methyl-n-(phenylmethyl)-, (r-(r*,r*))-
  • a-4 nipecotamide
  • alpha,alpha'-bis(3-(n-benzyl-n-methylcarbamoyl)piperidino)-4-xylene dihydrobromide
  • alpha,alpha'-bis(3-(n-benzyl-n-methylcarbamoyl)piperidinol)-4-xylene
  • bisbmcpx
CAS Number(s)
  • 145348-16-9
InChIKey XNZBQOHYFIVFRF-KKLWWLSJSA-N
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