Cas no 1217710-12-7 (tert-butyl (3S)-3-(cyanomethyl)piperidine-1-carboxylate)

tert-butyl (3S)-3-(cyanomethyl)piperidine-1-carboxylate structure
1217710-12-7 structure
Product Name:tert-butyl (3S)-3-(cyanomethyl)piperidine-1-carboxylate
CAS No:1217710-12-7
MF:C12H20N2O2
MW:224.299403190613
MDL:MFCD08272979
CID:1024383
PubChem ID:27282072
Update Time:2025-04-20

tert-butyl (3S)-3-(cyanomethyl)piperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (S)-tert-Butyl 3-(cyanomethyl)piperidine-1-carboxylate
    • (S)-1-Boc-3-(Cyanomethyl)piperidine
    • tert-butyl (3S)-3-(cyanomethyl)piperidine-1-carboxylate
    • 1217710-12-7
    • AKOS016004384
    • 1-Piperidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester, (3S)-
    • MFCD08272979
    • CS-0080312
    • DTXSID50650695
    • (R)-tert-Butyl 3-(Cyanomethyl)-1-Carboxylate
    • (S)-tert-Butyl3-(cyanomethyl)piperidine-1-carboxylate
    • EN300-7030269
    • 3-CYANOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • DB-031452
    • SCHEMBL11995200
    • tert-butyl (S)-3-(cyanomethyl)piperidine-1-carboxylate
    • MDL: MFCD08272979
    • Inchi: 1S/C12H20N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-6,8-9H2,1-3H3/t10-/m0/s1
    • InChI Key: RWAQULYYWNUYFH-JTQLQIEISA-N
    • SMILES: O(C(C)(C)C)C(N1CCC[C@@H](CC#N)C1)=O

Computed Properties

  • Exact Mass: 224.152477885g/mol
  • Monoisotopic Mass: 224.152477885g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 53.3?2

tert-butyl (3S)-3-(cyanomethyl)piperidine-1-carboxylate Pricemore >>

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