Cas no 405513-13-5 (3-Piperidinecarboxylicacid, 5-methyl-, methyl ester, (3S,5S)-)

3-Piperidinecarboxylicacid, 5-methyl-, methyl ester, (3S,5S)- structure
405513-13-5 structure
Product Name:3-Piperidinecarboxylicacid, 5-methyl-, methyl ester, (3S,5S)-
CAS No:405513-13-5
MF:C8H15NO2
MW:157.210202455521
CID:326075
PubChem ID:45090272
Update Time:2025-04-19

3-Piperidinecarboxylicacid, 5-methyl-, methyl ester, (3S,5S)- Chemical and Physical Properties

Names and Identifiers

    • 3-Piperidinecarboxylicacid, 5-methyl-, methyl ester, (3S,5S)-
    • 3-Piperidinecarboxylicacid,5-methyl-,methylester,(3S,5S)-(9CI)
    • SCHEMBL5216365
    • (3S,5S)-Methyl 5-methylpiperidine-3-carboxylate
    • 405513-13-5
    • (3S,5S)-Methyl5-methylpiperidine-3-carboxylate
    • Inchi： 1S/C8H15NO2/c1-6-3-7(5-9-4-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
    • InChI Key： HJPYJRXRHXOATI-BQBZGAKWSA-N
    • SMILES： O(C)C([C@@H]1CNC[C@@H](C)C1)=O

Computed Properties

  • Exact Mass: 157.110278721g/mol
  • Monoisotopic Mass: 157.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 147
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 38.3?2

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