Cas no 72939-22-1 (2-butylpiperidine)
2-butylpiperidine Chemical and Physical Properties
Names and Identifiers
-
- Piperidine, 2-butyl-
- 2-butylpiperidine
- F8886-3808
- SCHEMBL6050340
- BBL020720
- 72939-22-1
- EN300-1233874
- STK893410
- AKOS001476407
-
- Inchi: 1S/C9H19N/c1-2-3-6-9-7-4-5-8-10-9/h9-10H,2-8H2,1H3
- InChI Key: PCNXNSPEWIRGJO-UHFFFAOYSA-N
- SMILES: N1CCCCC1CCCC
Computed Properties
- Exact Mass: 141.15187
- Monoisotopic Mass: 141.151749610g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 80.8
- 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: 2.5
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
2-butylpiperidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B194526-100mg |
2-butylpiperidine |
72939-22-1 | 100mg |
$ 115.00 | 2022-06-07 | ||
| TRC | B194526-500mg |
2-butylpiperidine |
72939-22-1 | 500mg |
$ 390.00 | 2022-06-07 | ||
| TRC | B194526-1g |
2-butylpiperidine |
72939-22-1 | 1g |
$ 615.00 | 2022-06-07 | ||
| Enamine | EN300-1233874-0.05g |
2-butylpiperidine |
72939-22-1 | 95.0% | 0.05g |
$935.0 | 2025-02-21 | |
| Enamine | EN300-1233874-0.1g |
2-butylpiperidine |
72939-22-1 | 95.0% | 0.1g |
$980.0 | 2025-02-21 | |
| Enamine | EN300-1233874-0.25g |
2-butylpiperidine |
72939-22-1 | 95.0% | 0.25g |
$1024.0 | 2025-02-21 | |
| Enamine | EN300-1233874-0.5g |
2-butylpiperidine |
72939-22-1 | 95.0% | 0.5g |
$1069.0 | 2025-02-21 | |
| Enamine | EN300-1233874-1.0g |
2-butylpiperidine |
72939-22-1 | 95.0% | 1.0g |
$1113.0 | 2025-02-21 | |
| Enamine | EN300-1233874-2.5g |
2-butylpiperidine |
72939-22-1 | 95.0% | 2.5g |
$2185.0 | 2025-02-21 | |
| Enamine | EN300-1233874-5.0g |
2-butylpiperidine |
72939-22-1 | 95.0% | 5.0g |
$3231.0 | 2025-02-21 |
2-butylpiperidine Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
Additional information on 2-butylpiperidine
Recent Advances in the Study of 2-Butylpiperidine (CAS: 72939-22-1) in Chemical Biology and Pharmaceutical Research
The compound 2-butylpiperidine (CAS: 72939-22-1) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications in drug discovery and development. This heterocyclic amine, characterized by a piperidine ring substituted with a butyl group at the 2-position, exhibits unique physicochemical properties that make it a valuable scaffold for medicinal chemistry. Recent studies have explored its potential as a building block for novel therapeutics, particularly in the areas of central nervous system (CNS) disorders, antimicrobial agents, and enzyme inhibitors.
A 2023 study published in the Journal of Medicinal Chemistry investigated the structural modifications of 2-butylpiperidine to enhance its blood-brain barrier (BBB) permeability for CNS-targeted drug delivery. The research team employed molecular docking and in vitro BBB models to demonstrate that specific derivatives of 2-butylpiperidine showed improved pharmacokinetic profiles compared to parent compounds. These findings suggest that 2-butylpiperidine derivatives could serve as promising candidates for the treatment of neurodegenerative diseases such as Alzheimer's and Parkinson's.
In the realm of antimicrobial research, a recent publication in Bioorganic & Medicinal Chemistry Letters reported the synthesis and evaluation of 2-butylpiperidine-based compounds against multidrug-resistant bacterial strains. The study revealed that certain analogs exhibited potent activity against methicillin-resistant Staphylococcus aureus (MRSA) with minimum inhibitory concentrations (MICs) in the low micromolar range. Structure-activity relationship (SAR) analysis indicated that the length and branching of the alkyl substituent on the piperidine ring significantly influenced antimicrobial efficacy.
Another significant development involves the use of 2-butylpiperidine as a chiral auxiliary in asymmetric synthesis. Researchers from the University of Tokyo developed a novel catalytic system utilizing 2-butylpiperidine derivatives for enantioselective C-C bond formation, achieving excellent yields and stereoselectivities (up to 99% ee). This methodology, published in Angewandte Chemie in early 2024, provides a robust platform for the synthesis of complex chiral molecules with potential pharmaceutical applications.
From a safety and toxicological perspective, recent preclinical studies have provided valuable data on the metabolic pathways and potential toxicity of 2-butylpiperidine derivatives. A comprehensive ADMET (absorption, distribution, metabolism, excretion, and toxicity) profiling study conducted by the European Medicines Agency identified cytochrome P450 2D6 as the primary enzyme responsible for the metabolism of these compounds, with generally favorable safety profiles observed at therapeutic doses.
The pharmaceutical industry has shown increasing interest in 2-butylpiperidine-based drug candidates, with several compounds currently in various stages of clinical development. Notably, BP-2024, a 2-butylpiperidine derivative targeting serotonin receptors, has completed Phase II trials for the treatment of major depressive disorder with promising results. The compound demonstrated superior efficacy compared to existing antidepressants while maintaining a favorable side effect profile.
Future research directions for 2-butylpiperidine include exploration of its potential in targeted drug delivery systems, particularly through the development of prodrug strategies that leverage its chemical properties for enhanced tissue specificity. Additionally, computational chemistry approaches are being increasingly employed to design novel 2-butylpiperidine derivatives with optimized pharmacological properties, potentially accelerating the drug discovery process for various therapeutic areas.
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