Cas no 1217805-12-3 ((S)-tert-Butyl (piperidin-3-ylmethyl)carbamate hydrochloride)

(S)-tert-Butyl (piperidin-3-ylmethyl)carbamate hydrochloride structure
1217805-12-3 structure
Product Name:(S)-tert-Butyl (piperidin-3-ylmethyl)carbamate hydrochloride
CAS No:1217805-12-3
MF:C11H23ClN2O2
MW:250.765522241592
MDL:MFCD11112275
CID:1027070
PubChem ID:45072464
Update Time:2025-04-20

(S)-tert-Butyl (piperidin-3-ylmethyl)carbamate hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (S)-tert-Butyl (piperidin-3-ylmethyl)carbamate hydrochloride
    • 2-Methyl-2-propanyl [(3S)-3-piperidinylmethyl]carbamate hydrochloride (1:1)
    • (R)-3-(Boc-aminomethyl)piperidine,97%
    • 1217805-12-3
    • DTXSID40662565
    • tert-butyl [(3S)-3-piperidinylmethyl]carbamate hydrochloride
    • tert-butyl N-[[(3S)-piperidin-3-yl]methyl]carbamate;hydrochloride
    • tert-Butyl {[(3S)-piperidin-3-yl]methyl}carbamate--hydrogen chloride (1/1)
    • A891417
    • (S)-tert-Butyl(piperidin-3-ylmethyl)carbamatehydrochloride
    • (E)-N-{[(3S)-piperidin-3-yl]methyl}(tert-butoxy)carboximidic acid hydrochloride
    • GS-6369
    • (S)-tert-butyl (piperidin-3-ylmethyl)carbamate HCl
    • AKOS015855525
    • MDL： MFCD11112275
    • Inchi： 1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9;/h9,12H,4-8H2,1-3H3,(H,13,14);1H/t9-;/m0./s1
    • InChI Key： BIBCIACSFRCABS-FVGYRXGTSA-N
    • SMILES： Cl.O(C(NC[C@@H]1CNCCC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 250.14499
  • Monoisotopic Mass: 250.1448057g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 211
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 50.4?2

Experimental Properties

  • PSA: 50.36

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