Cas no 694501-34-3 (1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine)

1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine is a fluorinated nitrophenyl-substituted piperazine derivative with potential applications in pharmaceutical and agrochemical research. Its structure combines a piperazine core with an ethyl group and a 2-fluoro-4-nitrophenyl moiety, offering versatility as an intermediate in synthetic chemistry. The fluorine and nitro functional groups enhance reactivity, making it useful for further derivatization or as a building block in drug discovery. The compound’s well-defined molecular structure allows for precise modifications, facilitating studies in medicinal chemistry, particularly in the development of bioactive molecules. Its stability under standard conditions ensures reliable handling in laboratory settings.
1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine structure
694501-34-3 structure
Product Name:1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine
CAS No:694501-34-3
MF:C12H16FN3O2
MW:253.272746086121
MDL:MFCD04214667
CID:1737486
PubChem ID:2947839
Update Time:2025-06-08

1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine Chemical and Physical Properties

Names and Identifiers

    • Piperazine, 1-ethyl-4-(2-fluoro-4-nitrophenyl)-
    • 1-ethyl-4-(2-fluoro-4-nitro-phenyl)-piperazine
    • 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine
    • SR-01000270044-1
    • SR-01000270044
    • XMJXGMZBNFICRS-UHFFFAOYSA-N
    • STL414652
    • AKOS024299772
    • SCHEMBL852655
    • DB-337197
    • CS-0106244
    • D76618
    • 694501-34-3
    • BS-32707
    • EN300-345790
    • MDL: MFCD04214667
    • Inchi: 1S/C12H16FN3O2/c1-2-14-5-7-15(8-6-14)12-4-3-10(16(17)18)9-11(12)13/h3-4,9H,2,5-8H2,1H3
    • InChI Key: XMJXGMZBNFICRS-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CC=1N1CCN(CC)CC1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 253.12300
  • Monoisotopic Mass: 253.123
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 290
  • 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: 2.2
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.30000
  • LogP: 2.40190

1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine Pricemore >>

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Additional information on 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine

1-Ethyl-4-(2-Fluoro-4-nitrophenyl)piperazine: An Overview of a Promising Compound (CAS No. 694501-34-3)

1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine, also known by its CAS number 694501-34-3, is a synthetic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of piperazines, which are widely used in the development of various therapeutic agents due to their versatile pharmacological properties.

The chemical structure of 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine features a piperazine ring substituted with an ethyl group and a 2-fluoro-4-nitrophenyl moiety. The presence of these functional groups imparts unique characteristics to the molecule, making it a valuable candidate for further investigation in drug discovery and development.

Recent studies have highlighted the potential of 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine in various therapeutic areas. One notable application is its use as a lead compound in the development of novel antidepressants. Research has shown that this compound exhibits selective serotonin reuptake inhibition (SSRI) properties, which are crucial for treating mood disorders such as depression and anxiety. The fluoro and nitro substituents on the phenyl ring enhance the compound's affinity for serotonin transporters, thereby improving its efficacy as an SSRI.

In addition to its potential as an antidepressant, 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine has also been explored for its anti-inflammatory properties. Preclinical studies have demonstrated that this compound can effectively reduce inflammation by modulating key signaling pathways involved in the inflammatory response. This makes it a promising candidate for treating inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.

The pharmacokinetic profile of 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine has been extensively studied to understand its behavior in biological systems. Research indicates that the compound exhibits good oral bioavailability and favorable pharmacokinetic parameters, making it suitable for further development into a viable drug candidate. Its metabolic stability and low toxicity profile further enhance its potential for clinical applications.

Clinical trials are currently underway to evaluate the safety and efficacy of 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine in human subjects. Preliminary results from phase I trials have shown promising outcomes, with the compound demonstrating a favorable safety profile and significant therapeutic effects. These findings have paved the way for more advanced clinical trials to explore its potential in treating various medical conditions.

The synthetic route for producing 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine has been optimized to ensure high yield and purity. The synthesis involves several steps, including the formation of the piperazine ring, introduction of the ethyl group, and substitution with the 2-fluoro-4-nitrophenyl moiety. Advanced synthetic techniques and catalysts have been employed to streamline the process, making it more efficient and cost-effective.

In conclusion, 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine (CAS No. 694501-34-3) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure and favorable pharmacological properties make it an attractive candidate for further development into therapeutic agents for mood disorders, inflammatory diseases, and other medical conditions. Ongoing research and clinical trials will continue to shed light on its full potential, contributing to advancements in drug discovery and healthcare.

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