Cas no 1803588-38-6 (4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride)
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride Chemical and Physical Properties
Names and Identifiers
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- Piperidine, 4-(1-azetidinyl)-3-fluoro-, hydrochloride (1:2)
- 4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride
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- Inchi: 1S/C8H15FN2.ClH/c9-7-6-10-3-2-8(7)11-4-1-5-11;/h7-8,10H,1-6H2;1H
- InChI Key: AMTVTEAIJCSTPM-UHFFFAOYSA-N
- SMILES: FC1CNCCC1N1CCC1.Cl
Computed Properties
- Exact Mass: 230.075
- Monoisotopic Mass: 230.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 136
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 15.3A^2
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD00988217-1g |
4-(Azetidin-1-yl)-3-fluoropiperidine dihydrochloride |
1803588-38-6 | 98% | 1g |
¥9506.0 | 2023-04-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTEN2343-1-100MG |
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride |
1803588-38-6 | 95% | 100MG |
¥ 1,359.00 | 2023-04-14 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTEN2343-1-250MG |
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride |
1803588-38-6 | 95% | 250MG |
¥ 2,178.00 | 2023-04-14 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTEN2343-1-500MG |
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride |
1803588-38-6 | 95% | 500MG |
¥ 3,630.00 | 2023-04-14 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTEN2343-1-1G |
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride |
1803588-38-6 | 95% | 1g |
¥ 5,438.00 | 2023-04-14 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTEN2343-1-5G |
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride |
1803588-38-6 | 95% | 5g |
¥ 16,315.00 | 2023-04-14 | |
| Enamine | EN300-183149-0.05g |
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride |
1803588-38-6 | 90% | 0.05g |
$508.0 | 2023-07-10 | |
| Enamine | EN300-183149-0.1g |
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride |
1803588-38-6 | 90% | 0.1g |
$663.0 | 2023-07-10 | |
| Enamine | EN300-183149-0.25g |
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride |
1803588-38-6 | 90% | 0.25g |
$948.0 | 2023-07-10 | |
| Enamine | EN300-183149-0.5g |
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride |
1803588-38-6 | 90% | 0.5g |
$1494.0 | 2023-07-10 |
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
Additional information on 4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride
Introduction to 4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride (CAS No. 1803588-38-6) in Modern Chemical and Pharmaceutical Research
4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride, identified by the chemical identifier CAS No. 1803588-38-6, is a novel heterocyclic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound belongs to the piperidine class, characterized by a six-membered aromatic ring containing one nitrogen atom, and it incorporates an azetidine moiety and a fluorine substituent, which endow it with unique structural and functional properties. The dihydrochloride salt form enhances its solubility and stability, making it a valuable intermediate in the synthesis of biologically active molecules.
The incorporation of a fluorine atom at the 3-position of the piperidine ring is a strategic design choice that can significantly influence the pharmacokinetic and pharmacodynamic properties of derived compounds. Fluorine substitution is a well-established approach in drug discovery, often employed to improve metabolic stability, binding affinity, and overall bioavailability. In the context of 4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride, the fluorine atom may contribute to enhanced interactions with biological targets, potentially leading to improved therapeutic efficacy.
The azetidine ring in this compound introduces additional conformational flexibility, which can be exploited to fine-tune the binding profile of downstream drug candidates. Azetidine derivatives have been explored in various therapeutic areas due to their ability to mimic natural amino acid structures while maintaining distinct chemical properties. The combination of an azetidine scaffold with a fluorinated piperidine core presents a promising scaffold for developing novel small-molecule inhibitors or agonists.
Recent advancements in computational chemistry and molecular modeling have enabled researchers to predict the binding modes and interactions of such compounds with high precision. Studies have indicated that 4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride may exhibit potent activity against enzymes or receptors involved in critical biological pathways. For instance, its structural features suggest potential utility in targeting enzymes implicated in inflammation, cancer, or neurodegenerative diseases.
The pharmaceutical industry has increasingly relied on heterocyclic compounds like 4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride due to their diverse biological activities and synthetic accessibility. The presence of both nitrogen-containing heterocycles and fluorine substituents creates multiple opportunities for further derivatization, allowing chemists to explore a wide spectrum of pharmacological properties. This compound serves as a versatile building block for medicinal chemists seeking to develop next-generation therapeutics.
In vitro studies have begun to uncover the potential of 4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride as a precursor for drug candidates. Initial assays have shown promising results in modulating enzyme activity, suggesting its suitability for further development into lead compounds. The dihydrochloride salt form ensures consistent purity and reactivity, facilitating its use in both academic research and industrial-scale synthesis.
The synthesis of 4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride involves multi-step organic transformations, including nucleophilic substitution reactions and cyclization processes. The introduction of the fluorine atom at the 3-position is typically achieved through halogen exchange or direct fluorination techniques, which require careful optimization to ensure high yield and selectivity. Advances in synthetic methodologies have made it possible to produce this compound with greater efficiency and scalability.
The growing interest in fluorinated piperidine derivatives stems from their broad applicability across multiple therapeutic domains. Researchers are exploring their potential in oncology, where they may serve as inhibitors of kinases or other enzymes driving tumor growth. Additionally, these compounds show promise in central nervous system disorders, where modulation of neurotransmitter receptors could lead to novel treatments for conditions such as Alzheimer’s disease or Parkinson’s disease.
As computational tools continue to evolve, virtual screening methods are being employed to identify promising analogs of 4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride. These approaches leverage large databases of chemical structures and biological targets to predict novel interactions, accelerating the drug discovery process. The integration of machine learning algorithms further enhances the ability to model complex molecular interactions, providing insights into how structural modifications may impact biological activity.
The stability and solubility profile of 4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride make it an attractive candidate for further development into clinical candidates. Formulations can be designed to optimize bioavailability while maintaining shelf-life stability, ensuring that this compound remains viable for therapeutic applications. Pharmaceutical companies are increasingly investing in preclinical studies to evaluate its potential as a drug candidate or as an intermediate for more complex molecules.
In conclusion,4-(azetidin-1-yl)-3-fluoropiperidine dihydrochloride (CAS No. 1803588-38-6) represents a significant advancement in heterocyclic chemistry with broad implications for drug discovery. Its unique structural features—combining an azetidine moiety with a fluorinated piperidine ring—offer numerous opportunities for developing innovative therapeutics across various disease areas. As research progresses,this compound is poised to play a crucial role in shaping future pharmaceutical developments,providing new hope for patients worldwide.
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