Cas no 857374-12-0 (4-(butan-2-yl)piperidine)

4-(Butan-2-yl)piperidine is a substituted piperidine derivative featuring a sec-butyl group at the 4-position of the piperidine ring. This structural motif is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate. The compound's piperidine core provides a rigid scaffold, while the butyl substituent introduces lipophilicity, which can influence solubility and binding interactions. Its well-defined structure allows for precise modifications in synthetic applications, making it valuable for the development of bioactive molecules. The compound is typically handled under controlled conditions due to its amine functionality, requiring standard precautions for storage and use in organic synthesis.
4-(butan-2-yl)piperidine structure
4-(butan-2-yl)piperidine structure
Product Name:4-(butan-2-yl)piperidine
CAS No:857374-12-0
MF:C9H19N
MW:141.2538626194
CID:2113793
PubChem ID:57067325
Update Time:2025-06-22

4-(butan-2-yl)piperidine Chemical and Physical Properties

Names and Identifiers

    • 4-(1-methylpropyl)Piperidine
    • 4-(butan-2-yl)piperidine
    • 4-Butan-2-ylpiperidine
    • Inchi: 1S/C9H19N/c1-3-8(2)9-4-6-10-7-5-9/h8-10H,3-7H2,1-2H3
    • InChI Key: XTYXOZLBUCKGPY-UHFFFAOYSA-N
    • SMILES: N1CCC(CC1)C(C)CC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 84.7
  • Topological Polar Surface Area: 12

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Additional information on 4-(butan-2-yl)piperidine

Professional Introduction to 4-(butan-2-yl)piperidine (CAS No. 857374-12-0)

4-(butan-2-yl)piperidine, a compound with the chemical formula C?H??N, is a significant molecule in the field of pharmaceutical chemistry and medicinal research. This compound, identified by its unique Chemical Abstracts Service (CAS) number 857374-12-0, has garnered attention due to its structural properties and potential applications in drug development. The piperidine ring, a six-membered heterocyclic amine, is a common motif in bioactive molecules, and the introduction of a butyl group at the 4-position introduces additional pharmacological characteristics that make this compound of considerable interest.

The structure of 4-(butan-2-yl)piperidine features a piperidine core substituted with an isobutyl group. This substitution pattern can influence the compound's solubility, metabolic stability, and interaction with biological targets. The isobutyl group, being relatively bulky, can affect the compound's ability to cross biological membranes, which is a critical factor in drug design. Furthermore, the presence of a secondary amine in the piperidine ring can make the molecule susceptible to various chemical modifications, allowing for the synthesis of derivatives with tailored properties.

In recent years, there has been growing interest in piperidine derivatives as pharmacophores in drug discovery. Piperidine-based compounds have been explored for their potential in treating a variety of diseases, including central nervous system disorders, infectious diseases, and cancer. The pharmacological significance of 4-(butan-2-yl)piperidine lies in its ability to modulate biological pathways by interacting with specific targets such as enzymes and receptors. Its structural flexibility allows it to be incorporated into larger molecules or used as a building block for more complex structures.

One of the most compelling aspects of 4-(butan-2-yl)piperidine is its role in the development of novel therapeutic agents. Researchers have been investigating its potential as an intermediate in synthesizing small-molecule drugs that can address unmet medical needs. For instance, studies have shown that derivatives of this compound may exhibit inhibitory activity against certain enzymes involved in disease pathways. This has led to its inclusion in high-throughput screening campaigns aimed at identifying new lead compounds for drug development.

The synthesis of 4-(butan-2-yl)piperidine typically involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include nucleophilic substitution reactions where an appropriate electrophile reacts with a piperidine precursor. The choice of reagents and reaction conditions can significantly impact the efficiency of the synthesis and the quality of the final product. Advances in synthetic methodologies have made it possible to produce this compound on both laboratory and industrial scales, facilitating further research and development.

Recent advancements in computational chemistry have also contributed to our understanding of 4-(butan-2-yl)piperidine's properties. Molecular modeling techniques allow researchers to predict how this compound might behave in different environments and how it might interact with biological targets. These predictions can guide experimental efforts and help identify promising derivatives for further investigation. Additionally, computational methods can be used to optimize synthetic routes by predicting reaction outcomes before conducting experiments.

The biological activity of 4-(butan-2-yl)piperidine has been explored through various experimental studies. In vitro assays have shown that this compound can interact with specific proteins and enzymes, leading to changes in cellular function. These interactions may have therapeutic implications for diseases such as cancer, where modulation of enzyme activity is key to treatment strategies. Furthermore, preclinical studies have begun to assess the safety and efficacy of this compound in animal models, providing valuable insights into its potential as a drug candidate.

One notable area of research involves using 4-(butan-2-yl)piperidine as a scaffold for developing antiviral agents. The ability of piperidine derivatives to interfere with viral replication has been demonstrated in several studies. By modifying the structure of this compound, researchers aim to create molecules that can inhibit viral enzymes or disrupt viral entry into host cells. Such efforts are particularly relevant given the ongoing challenges posed by emerging infectious diseases.

The pharmaceutical industry has taken notice of the potential offered by compounds like 4-(butan-2-yl)piperidine. Several companies are investing in research programs aimed at developing new drugs based on piperidine scaffolds. These programs often involve collaborations between academic institutions and industry partners, leveraging expertise from multiple disciplines to accelerate drug discovery efforts. The success of these programs could lead to the introduction of novel therapies that address significant unmet medical needs.

In conclusion, 4-(butan-2-yl)piperidine (CAS No. 857374-12-0) is a versatile compound with considerable potential in pharmaceutical research and drug development. Its unique structure and pharmacological properties make it an attractive candidate for further investigation. As our understanding of biological systems continues to grow, compounds like this one will play an increasingly important role in developing innovative treatments for various diseases.

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