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1-Piperidinecarboxylicacid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel- | 828300-48-7

Product name:1-Piperidinecarboxylicacid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel-

CAS No:828300-48-7
MF:C12H20N2O2
MW:224.299403190613
CID:716055
Names and Identifiers
  • 1-Piperidinecarboxylicacid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel-
  • 1-Piperidinecarboxylicacid,3-cyano-2-methyl-,1,1-dimethylethylester,(2R,3R)-rel-(9CI)
  • 1-Piperidinecarboxylic acid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel-
  • 1-Piperidinecarboxylic acid, 3-cyano-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel-
  • InChIKey:HWOZEZOUTHQHSW-ZJUUUORDSA-N
  • Inchi:1S/C12H20N2O2/c1-9-10(8-13)6-5-7-14(9)11(15)16-12(2,3)4/h9-10H,5-7H2,1-4H3/t9-,10+/m1/s1
  • SMILES:N1(C(OC(C)(C)C)=O)CCC[C@@H](C#N)[C@H]1C
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 224.152
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Rotatable Bond Count: 2
  • Monoisotopic Mass: 224.152
  • Heavy Atom Count: 16
  • Complexity: 311
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • Topological Polar Surface Area: 53.3A^2
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