Cas no 946725-65-1 (3-Butoxypiperidine)

3-Butoxypiperidine is a piperidine derivative characterized by the presence of a butoxy substituent at the 3-position. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as a versatile intermediate. The butoxy group enhances lipophilicity, which may improve solubility in nonpolar solvents and influence bioavailability in drug design. Its piperidine core provides a rigid, nitrogen-containing scaffold, making it useful for constructing biologically active molecules or ligands in catalysis. The compound's stability under standard conditions and compatibility with various reaction conditions further contribute to its utility in synthetic applications. Proper handling and storage are recommended to maintain its integrity.
3-Butoxypiperidine structure
3-Butoxypiperidine structure
Product Name:3-Butoxypiperidine
CAS No:946725-65-1
MF:C9H19NO
MW:157.253262758255
CID:1077895
PubChem ID:43196825
Update Time:2025-10-28

3-Butoxypiperidine Chemical and Physical Properties

Names and Identifiers

    • 3-Butoxypiperidine
    • EN300-1841610
    • CS-0297754
    • SCHEMBL3012066
    • DTXSID70655708
    • 946725-65-1
    • BB 0251777
    • AKOS000246963
    • DB-366356
    • MDL: MFCD08687159
    • Inchi: 1S/C9H19NO/c1-2-3-7-11-9-5-4-6-10-8-9/h9-10H,2-8H2,1H3
    • InChI Key: WFTCSRKIJRCDCV-UHFFFAOYSA-N
    • SMILES: O(CCCC)C1CNCCC1

Computed Properties

  • Exact Mass: 157.146664230g/mol
  • Monoisotopic Mass: 157.146664230g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 95.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 21.3?2

3-Butoxypiperidine Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

3-Butoxypiperidine Pricemore >>

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Additional information on 3-Butoxypiperidine

Introduction to 3-Butoxypiperidine (CAS No: 946725-65-1) in Modern Chemical and Pharmaceutical Research

3-Butoxypiperidine, identified by the Chemical Abstracts Service Number (CAS No) 946725-65-1, is a significant compound in the realm of chemical and pharmaceutical innovation. This piperidine derivative, characterized by a butoxy group attached to a six-membered piperidine ring, has garnered considerable attention due to its versatile applications in drug discovery and synthetic chemistry. The unique structural and electronic properties of 3-butoxypiperidine make it a valuable intermediate in the synthesis of various bioactive molecules, including pharmacophores that exhibit promising biological activities.

The relevance of 3-butoxypiperidine in contemporary research is underscored by its role in developing novel therapeutic agents. Piperidine derivatives are well-documented for their utility in medicinal chemistry, often serving as scaffolds for small-molecule drugs. The introduction of an alkoxy group, such as the butoxy moiety in 3-butoxypiperidine, can modulate the pharmacokinetic and pharmacodynamic properties of the parent molecule, enhancing its efficacy and reducing potential side effects. This modification is particularly pertinent in the design of drugs targeting neurological and cardiovascular disorders, where precise control over molecular interactions is critical.

Recent advancements in computational chemistry and molecular modeling have further highlighted the potential of 3-butoxypiperidine as a key building block. Researchers are leveraging these tools to predict and optimize the interactions between 3-butoxypiperidine derivatives and biological targets. For instance, studies have demonstrated its utility in designing ligands for G-protein coupled receptors (GPCRs), which are integral to numerous physiological processes. The butoxy group's steric bulk and lipophilicity contribute to favorable binding affinities, making 3-butoxypiperidine-based compounds attractive candidates for further development.

In addition to its role in receptor-based drug design, 3-butoxypiperidine has been explored as a precursor in the synthesis of heterocyclic compounds with therapeutic potential. Heterocycles are ubiquitous in pharmaceuticals, often forming the core structure of drugs with diverse biological activities. The versatility of 3-butoxypiperidine lies in its ability to undergo various chemical transformations, such as nucleophilic substitutions, metal-catalyzed coupling reactions, and cyclizations. These reactions enable the construction of complex molecular architectures, paving the way for innovative drug candidates.

The pharmaceutical industry has shown particular interest in 3-butoxypiperidine due to its potential applications in treating central nervous system (CNS) disorders. Piperidine derivatives have been implicated in modulating neurotransmitter systems, making them promising candidates for drugs targeting conditions such as depression, anxiety, and epilepsy. The butoxy substituent enhances blood-brain barrier penetration, a crucial factor for CNS drug development. Preclinical studies have begun to explore 3-butoxypiperidine derivatives as potential leads for novel therapeutics, with early results indicating promising efficacy profiles.

From a synthetic chemistry perspective, 3-butoxypiperidine exemplifies the importance of functional group diversity in drug discovery. Its straightforward synthesis from readily available starting materials makes it an accessible building block for medicinal chemists. Researchers have developed efficient synthetic routes that minimize side reactions and maximize yield, ensuring scalability for industrial applications. These advancements underscore the compound's significance as a tool in synthetic pharmaceutical chemistry.

The environmental impact of chemical synthesis is another area where 3-butoxypiperidine has been scrutinized. Modern methodologies emphasize green chemistry principles, aiming to reduce waste and hazardous byproducts. Innovations in catalytic processes have enabled more sustainable routes to 3-butoxypiperidine, aligning with global efforts to promote environmentally friendly chemical practices. Such developments not only enhance efficiency but also contribute to compliance with regulatory standards governing pharmaceutical manufacturing.

Future directions for research on 3-butoxypiperidine include exploring its role in combinatorial chemistry and high-throughput screening (HTS) libraries. These approaches allow for rapid identification of bioactive molecules by systematically varying structural features. The incorporation of 3-butoxypiperidine into HTS campaigns has already yielded novel compounds with intriguing biological activities, reinforcing its value as a scaffold for drug discovery.

In conclusion,3-Butoxypiperidine (CAS No: 946725-65-1) represents a cornerstone compound in modern chemical biology and pharmaceutical research. Its unique structural attributes enable diverse applications across drug design, synthetic chemistry, and therapeutic development. As research continues to uncover new possibilities,3-Butoxypiperidine will undoubtedly remain at the forefront of innovation,driving advancements that benefit both scientific understanding and patient care.

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