Cas no 179334-10-2 (1-(3-fluorobenzoyl)piperazine)

1-(3-fluorobenzoyl)piperazine structure
1-(3-fluorobenzoyl)piperazine structure
Product Name:1-(3-fluorobenzoyl)piperazine
CAS No:179334-10-2
MF:C11H13FN2O
MW:208.232125997543
MDL:MFCD01828965
CID:906726
PubChem ID:2873560
Update Time:2025-11-01

1-(3-fluorobenzoyl)piperazine Chemical and Physical Properties

Names and Identifiers

    • (3-FLUORO-PHENYL)-PIPERAZIN-1-YL-METHANONE
    • (3-fluorophenyl)-piperazin-1-ylmethanone
    • 1-(3-FLUOROBENZOYL)PIPERAZINE
    • 3-FLUOROBENZOIC ACID, PIPERAZIDE
    • DTXSID80386819
    • Methanone, (3-fluorophenyl)-1-piperazinyl-
    • 179334-10-2
    • A1AJ8
    • GS3262
    • (3-fluorophenyl)(piperazin-1-yl)methanone
    • Oprea1_038861
    • (3-FLUOROPHENYL)(PIPERAZINO)METHANONE
    • KXFXHXPKGLLUGX-UHFFFAOYSA-N
    • (3-fluorophenyl)-piperazin-1-yl-methanone
    • AKOS000125822
    • (3-fluoro-phenyl)-piperazin-1-yl-methanone, AldrichCPR
    • MFCD01828965
    • (3-fluoro-phenyl)-piperazin-1 yl-methanone
    • EN300-31740
    • STK145262
    • SCHEMBL2336862
    • Oprea1_774472
    • DB-017210
    • (3-fluorophenyl)(1-piperazinyl)methanone
    • AK-968/13146377
    • G80091
    • 1-(3-fluorobenzoyl)piperazine
    • MDL: MFCD01828965
    • Inchi: 1S/C11H13FN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
    • InChI Key: KXFXHXPKGLLUGX-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C(N1CCNCC1)=O

Computed Properties

  • Exact Mass: 208.10100
  • Monoisotopic Mass: 208.10119120g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 229
  • 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: 0.8
  • Topological Polar Surface Area: 32.3?2

Experimental Properties

  • Density: 1.191
  • Boiling Point: 352.8°C at 760 mmHg
  • Flash Point: 167.2°C
  • Refractive Index: 1.541
  • PSA: 32.34000
  • LogP: 1.13780

1-(3-fluorobenzoyl)piperazine Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

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1-(3-fluorobenzoyl)piperazine Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:179334-10-2)1-(3-fluorobenzoyl)piperazine
Order Number:A1072430
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 18:50
Price ($):327.0

Additional information on 1-(3-fluorobenzoyl)piperazine

1-(3-Fluorobenzoyl)piperazine: A Promising Scaffold in Drug Discovery and Therapeutic Innovation

1-(3-Fluorobenzoyl)piperazine (CAS No. 179334-10-2) represents a critical molecular scaffold with growing interest in pharmaceutical research. This compound belongs to the class of piperazine derivatives, characterized by a six-membered heterocyclic ring containing two nitrogen atoms. The structural feature of 3-fluorobenzoyl group attached to the piperazine ring significantly modulates its physicochemical properties, enabling unique interactions with biological targets. Recent advancements in medicinal chemistry have highlighted the potential of this molecule as a versatile platform for developing novel therapeutics targeting diverse disease mechanisms.

Structural analysis of 1-(3-fluorobenzoyl)piperazine reveals its core piperazine ring with a fluorinated benzoyl moiety at the 1-position. The fluorine atom at the 3-position of the benzene ring introduces electronic effects that influence the molecule's reactivity and binding affinity. This structural feature is particularly relevant in modulating the compound's interaction with protein targets, as demonstrated in recent studies on kinase inhibition. The combination of aromatic ring substitution and heterocyclic framework creates a molecular architecture that is both chemically stable and biologically active.

Recent breakthroughs in drug discovery have positioned 1-(3-fluorobenzoyl)piperazine as a promising candidate for targeting kinase pathways. A 2023 study published in Journal of Medicinal Chemistry demonstrated its potential as a PDK1 inhibitor, showing significant antitumor activity in vitro. The compound's ability to selectively inhibit phosphatidylinositol-dependent kinase 1 (PDK1) suggests its therapeutic potential in cancers driven by aberrant kinase signaling. This finding aligns with broader trends in oncology research focusing on targeted therapies with improved specificity and reduced side effects.

From a pharmacological perspective, 1-(3-fluorobenzoyl)piperazine exhibits notable properties that make it an attractive candidate for drug development. Its molecular weight and solubility characteristics suggest favorable bioavailability, while the presence of the fluorinated benzoyl group enhances its metabolic stability. These properties are particularly important in the context of oral drug delivery, where compound stability and absorption are critical factors. Recent computational studies have further supported its potential as a lead compound for developing small molecule therapeutics.

Emerging research in the field of inflammation and immunomodulation has identified 1-(3-fluorobenzoyl)piperazine as a potential therapeutic agent for managing chronic inflammatory diseases. A 2024 preclinical study published in Pharmacological Research demonstrated its ability to modulate the NF-κB signaling pathway, a key mediator of inflammatory responses. This mechanism of action suggests potential applications in conditions such as rheumatoid arthritis and inflammatory bowel disease, where dysregulated inflammation plays a central role.

From a synthetic perspective, the preparation of 1-(3-fluorobenzoyl)piperazine involves standard chemical methodologies that are well-established in pharmaceutical manufacturing. The synthesis typically begins with the reaction of 3-fluorobenzoic acid with piperazine under controlled conditions, yielding the target compound. This synthetic route is not only efficient but also scalable, making it suitable for industrial production. The ability to produce this compound in large quantities is a significant advantage for its potential development as a pharmaceutical agent.

Recent advancements in medicinal chemistry have focused on optimizing the pharmacological profile of 1-(3-fluorobenzoyl)piperazine through structural modifications. Researchers are exploring the impact of substituents on the aromatic ring and the piperazine ring to enhance potency and selectivity. These studies are particularly relevant in the context of drug development, where fine-tuning of molecular structure can significantly improve therapeutic outcomes. The results of these investigations are expected to contribute to the design of more effective and safer drugs.

The therapeutic potential of 1-(3-fluorobenzoyl)piperazine extends beyond its direct pharmacological effects. Its ability to modulate cellular signaling pathways suggests potential applications in treating diseases with complex pathophysiology. For instance, its interaction with the PI3K/AKT/mTOR pathway has been implicated in various cancers, making it a candidate for combination therapies. This multifaceted mechanism of action highlights the compound's versatility in addressing diverse medical conditions.

Current research trends emphasize the importance of understanding the molecular interactions of 1-(3-fluorobenzoyl)piperazine with biological targets. Advanced techniques such as molecular docking and crystallography are being employed to elucidate its binding modes. These studies provide crucial insights into the compound's mechanism of action, which is essential for optimizing its therapeutic potential. The data generated from these investigations are also valuable for predicting potential side effects and improving drug safety profiles.

As the field of drug discovery continues to evolve, 1-(3-fluorobenzoyl)piperazine stands out as a promising scaffold with broad therapeutic applications. Its unique structural features and pharmacological properties make it a valuable candidate for further research and development. The growing body of evidence supporting its potential in oncology and inflammatory diseases underscores the importance of continued investigation into this compound. Future studies are likely to focus on optimizing its therapeutic profile and exploring its potential in new therapeutic areas.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:179334-10-2)1-(3-fluorobenzoyl)piperazine
A1072430
Purity:99%
Quantity:5g
Price ($):327.0
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