1-(4-(Benzothiazol-2-Yloxy)Benzyl)Piperidine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H20N2O3S
IUPAC Name 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
Molecular Mass 368.449 g·mol−1
Heat of Formation -223.5 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 429.64 Å 3
Surface Area 375.82 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-(1,3-benzothiazol-2-yloxy)benzyl]isonipecotic acid
  • 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]-4-piperidinecarboxylic acid
InChIKey BUZBVOKDNAZIIM-UHFFFAOYSA-N
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