Cas no 1692-79-1 (1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine)

1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine is a specialized organic compound featuring a piperidine moiety attached to a nitro- and trifluoromethyl-substituted phenyl ring. The presence of both electron-withdrawing groups (nitro and trifluoromethyl) enhances its reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its structural properties facilitate selective functionalization, particularly in the development of bioactive molecules. The trifluoromethyl group contributes to improved metabolic stability and lipophilicity, while the nitro group offers versatility for further chemical modifications. This compound is typically utilized in research settings for the synthesis of complex heterocycles and tailored organic molecules, demonstrating utility in medicinal chemistry and material science applications.
1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine structure
1692-79-1 structure
Product Name:1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine
CAS No:1692-79-1
MF:C12H13F3N2O2
MW:274.239033460617
MDL:MFCD00052908
CID:117968
PubChem ID:2775751
Update Time:2025-06-27

1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine
    • 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
    • N-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERIDINE
    • Piperidine,1-[2-nitro-4-(trifluoromethyl)phenyl]-
    • BUTTPARK 44\09-01
    • Nitrotrifluoromethylphenylpiperidine
    • 3-NITRO-4-(1-PIPERIDINYL)BENZOTRIFLUORIDE
    • 3-Nitro-4-(piperidin-1-yl)Benzotrifluoride
    • 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine97%
    • 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine 97%
    • SB43115
    • CS-0316429
    • CCG-41315
    • AS-9203
    • W-205990
    • A811081
    • SR-01000631402-1
    • CBDivE_014171
    • FT-0607102
    • AKOS000425556
    • 1692-79-1
    • Piperidine, 1-[2-nitro-4-(trifluoromethyl)phenyl]-
    • SCHEMBL1110533
    • MFCD00052908
    • HMS543E04
    • DTXSID10379678
    • Maybridge1_000620
    • G62968
    • STK199237
    • DB-011635
    • AG-205/05155059
    • MDL: MFCD00052908
    • Inchi: 1S/C12H13F3N2O2/c13-12(14,15)9-4-5-10(11(8-9)17(18)19)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
    • InChI Key: ZKCJWUWQXSPDEO-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=C(C=1)[N+](=O)[O-])N1CCCCC1)(F)F

Computed Properties

  • Exact Mass: 274.09300
  • Monoisotopic Mass: 274.09291215g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 324
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.6
  • Topological Polar Surface Area: 49.1?2

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 48-50°C
  • PSA: 49.06000
  • LogP: 4.19210
  • Solubility: Not determined

1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S37/39
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S37/39
  • Risk Phrases:R36/37/38

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Additional information on 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine

Recent Advances in the Study of 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine (CAS: 1692-79-1)

1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine (CAS: 1692-79-1) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This compound, characterized by its nitro and trifluoromethyl functional groups, has been the subject of recent studies due to its potential applications in drug discovery and development. The unique structural features of this molecule make it a promising candidate for the design of novel therapeutic agents, particularly in the areas of central nervous system (CNS) disorders and antimicrobial therapies.

Recent research has focused on the synthesis and biological evaluation of 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine. A study published in the Journal of Medicinal Chemistry (2023) demonstrated that this compound exhibits potent inhibitory activity against specific enzyme targets associated with neurodegenerative diseases. The study utilized a combination of computational modeling and in vitro assays to elucidate the binding mechanisms and pharmacokinetic properties of the compound. The results indicated that 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine has a high affinity for the target enzyme, with a Ki value in the nanomolar range, suggesting its potential as a lead compound for further optimization.

Another significant development in the study of this compound is its application in antimicrobial research. A recent report in Bioorganic & Medicinal Chemistry Letters (2024) highlighted the compound's efficacy against drug-resistant bacterial strains. The researchers synthesized a series of derivatives and evaluated their antibacterial activity, finding that 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine exhibited broad-spectrum activity, particularly against Gram-positive bacteria. The study also explored the structure-activity relationship (SAR) of the compound, providing valuable insights for the design of more potent analogs.

In addition to its biological activities, the synthetic pathways for 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine have been optimized to improve yield and scalability. A recent publication in Organic Process Research & Development (2023) described a novel catalytic method for the synthesis of this compound, which reduces the need for hazardous reagents and minimizes waste generation. This advancement is particularly relevant for the pharmaceutical industry, where sustainable and efficient synthetic methods are highly sought after.

The safety and toxicological profile of 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine has also been investigated. A preclinical study conducted by a leading pharmaceutical company (2024) assessed the compound's acute and subchronic toxicity in animal models. The results indicated that the compound has a favorable safety profile at therapeutic doses, with no significant adverse effects observed. These findings support the potential for further development of this compound as a drug candidate.

In conclusion, recent research on 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine (CAS: 1692-79-1) has demonstrated its versatility and potential in various therapeutic areas. The compound's unique chemical structure, combined with its promising biological activities, makes it a valuable subject for ongoing and future studies. Continued exploration of its pharmacological properties, synthetic methods, and safety profile will be essential for translating these findings into clinical applications.

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