Cas no 125926-53-6 (Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl-)

Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl-, is a fluorinated sulfonamide derivative of piperazine, characterized by its unique structural features. The incorporation of a 4-fluorophenylsulfonyl group enhances its potential as an intermediate in pharmaceutical synthesis, particularly for bioactive molecules targeting neurological or antimicrobial applications. The methyl substitution at the 4-position of the piperazine ring contributes to improved stability and selectivity in chemical reactions. This compound is valued for its versatility in organic synthesis, offering a balance of reactivity and steric influence. Its well-defined structure makes it suitable for research in medicinal chemistry, where precise molecular modifications are critical for drug development.
Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl- structure
125926-53-6 structure
Product Name:Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl-
CAS No:125926-53-6
MF:C11H15FN2O2S
MW:258.312404870987
MDL:MFCD00783766
CID:1218771
PubChem ID:767914
Update Time:2025-11-06

Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl-
    • 1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine
    • 1-(4-fluorophenyl)sulfonyl-4-methylpiperazine
    • SCHEMBL424172
    • 1-[(4-fluorophenyl)sulfonyl]-4-methylpiperazine
    • DTXSID90354286
    • A1-03477
    • 1-(4-FLUOROBENZENESULFONYL)-4-METHYLPIPERAZINE
    • CS-0318647
    • 125926-53-6
    • SMR000517940
    • MLS001210137
    • Oprea1_381120
    • AKOS000565681
    • Oprea1_871439
    • N11547
    • 1-(4-Fluoro-benzenesulfonyl)-4-methyl-piperazine
    • CHEMBL2132278
    • DSGBFQDACFDOAP-UHFFFAOYSA-N
    • DB-097764
    • AM86459
    • STK096268
    • MDL: MFCD00783766
    • Inchi: 1S/C11H15FN2O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
    • InChI Key: DSGBFQDACFDOAP-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)F)(N1CCN(C)CC1)(=O)=O

Computed Properties

  • Exact Mass: 258.08395
  • Monoisotopic Mass: 258.08382706g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 339
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 49?2

Experimental Properties

  • PSA: 40.62

Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl- Pricemore >>

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Additional information on Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl-

Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl-

Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl- (CAS No. 125926-53-6) is a versatile organic compound with a unique chemical structure that has garnered significant attention in various fields of research and application. This compound is characterized by its piperazine ring, which is a six-membered ring containing two nitrogen atoms, and a sulfonyl group attached to the 1-position of the ring. The sulfonyl group is further substituted with a fluorophenyl moiety, specifically at the para position of the phenyl ring. Additionally, a methyl group is attached to the 4-position of the piperazine ring, contributing to the compound's structural complexity and functional diversity.

The chemical structure of this compound plays a pivotal role in its reactivity and functionality. The piperazine ring is known for its ability to form hydrogen bonds due to the presence of nitrogen atoms, which can act as both donors and acceptors. This property makes it highly suitable for applications in drug design, where hydrogen bonding is crucial for molecular interactions with biological targets. The sulfonyl group, on the other hand, introduces electron-withdrawing effects, which can enhance the electrophilicity of adjacent atoms and influence the compound's reactivity in various chemical reactions.

Recent studies have highlighted the potential of Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl- in the field of medicinal chemistry. Researchers have explored its role as a scaffold for designing bioactive molecules targeting various therapeutic areas, including cancer, inflammation, and central nervous system disorders. For instance, modifications to the fluorophenyl group have shown promise in enhancing the compound's selectivity and potency against specific biological targets.

In addition to its medicinal applications, this compound has also found utility in materials science. The combination of the piperazine ring and the sulfonyl group provides a platform for designing advanced materials with tailored properties. For example, derivatives of this compound have been investigated for their potential as precursors in polymer synthesis or as additives in coatings and adhesives.

The synthesis of Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl- involves a multi-step process that typically begins with the preparation of intermediates such as fluorobenzene derivatives and piperazine derivatives. The key steps often include nucleophilic substitution reactions or coupling reactions to introduce the sulfonyl group onto the piperazine ring. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses of this compound.

From an analytical perspective, this compound has been extensively studied using modern spectroscopic techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). These studies have provided valuable insights into its structural integrity and stability under various conditions. Furthermore, computational chemistry methods have been employed to predict its electronic properties and reactivity patterns.

In conclusion, Piperazine, 1-[(4-fluorophenyl)sulfonyl]-4-methyl- (CAS No. 125926-53-6) stands out as a multifaceted compound with significant potential across diverse scientific domains. Its unique chemical structure and functional groups make it an invaluable tool for researchers seeking innovative solutions in drug discovery, materials science, and beyond.

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