Cas no 87584-71-2 (4-[(3S)-piperidin-3-yl]-1H-indole)

4-[(3S)-piperidin-3-yl]-1H-indole structure
87584-71-2 structure
Product Name:4-[(3S)-piperidin-3-yl]-1H-indole
CAS No:87584-71-2
MF:C13H16N2
MW:200.279542922974
CID:1907930
PubChem ID:3071277
Update Time:2025-04-21

4-[(3S)-piperidin-3-yl]-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 4-[(3S)-piperidin-3-yl]-1H-indole
    • RU 39142
    • 1H-Indole, 4-(3-piperidinyl)-, (S)-
    • (S)-4-(3-Piperidinyl)-1H-indole
    • 87584-71-2
    • (+)-4-(3-Piperidinyl)-1H-indole
    • ZA9
    • Inchi: 1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1
    • InChI Key: JWMGZQMVMZBMFM-SNVBAGLBSA-N
    • SMILES: N1CCC[C@@H](C2=CC=CC3=C2C=CN3)C1

Computed Properties

  • Exact Mass: 200.131348519g/mol
  • Monoisotopic Mass: 200.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 217
  • 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: 2.2
  • Topological Polar Surface Area: 27.8?2
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