Cas no 56708-46-4 (1-[(4-fluorophenyl)carbonyl]-4-methylpiperazine hydrochloride)

1-[(4-fluorophenyl)carbonyl]-4-methylpiperazine hydrochloride structure
56708-46-4 structure
Product Name:1-[(4-fluorophenyl)carbonyl]-4-methylpiperazine hydrochloride
CAS No:56708-46-4
MF:C12H16ClFN2O
MW:258.719645500183
CID:1599337
PubChem ID:3044065
Update Time:2025-04-21

1-[(4-fluorophenyl)carbonyl]-4-methylpiperazine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1-[(4-fluorophenyl)carbonyl]-4-methylpiperazine hydrochloride
    • (4-fluorophenyl)-(4-methylpiperazin-1-yl)methanone,hydrochloride
    • DTXSID40205274
    • 1-(4-Fluorobenzoyl)-4-methylpiperazine hydrochloride
    • Piperazine, 1-(4-fluorobenzoyl)-4-methyl-, monohydrochloride
    • 56708-46-4
    • Inchi: 1S/C12H15FN2O.ClH/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10;/h2-5H,6-9H2,1H3;1H
    • InChI Key: RLVBCMSJUFVXBD-UHFFFAOYSA-N
    • SMILES: Cl.FC1C=CC(=CC=1)C(N1CCN(C)CC1)=O

Computed Properties

  • Exact Mass: 258.09368
  • Monoisotopic Mass: 258.0935190g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 243
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 23.6?2

Experimental Properties

  • PSA: 23.55
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