Cas no 896054-84-5 (1-methyl-4-[(piperidin-3-yl)methyl]piperazine)
1-methyl-4-[(piperidin-3-yl)methyl]piperazine Chemical and Physical Properties
Names and Identifiers
-
- 1-Methyl-4-(piperidin-3-ylmethyl)piperazine
- 1-METHYL-4-(3-PIPERIDINYLMETHYL)PIPERAZINE X3HCL
- 1-methyl-4-[(piperidin-3-yl)methyl]piperazine
- 1-methyl-4-(3-piperidinylmethyl)piperazine
- EN300-68348
- 896054-84-5
- AKOS016346191
- AKOS000173888
- CHEMBL4536432
- Z317037060
- SCHEMBL13661309
- piperazine, 1-methyl-4-(3-piperidinylmethyl)-, trihydrochloride
- G32125
- ALBB-013256
-
- MDL: MFCD05215168
- Inchi: 1S/C11H23N3/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11/h11-12H,2-10H2,1H3
- InChI Key: KHESUUBSLVIEBH-UHFFFAOYSA-N
- SMILES: N1(CCN(C)CC1)CC1CNCCC1
Computed Properties
- Exact Mass: 197.189197746g/mol
- Monoisotopic Mass: 197.189197746g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 164
- 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: 0.4
- Topological Polar Surface Area: 18.5?2
1-methyl-4-[(piperidin-3-yl)methyl]piperazine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M321838-50mg |
1-Methyl-4-(3-piperidinylmethyl)piperazine |
896054-84-5 | 50mg |
$ 50.00 | 2022-06-02 | ||
| TRC | M321838-100mg |
1-Methyl-4-(3-piperidinylmethyl)piperazine |
896054-84-5 | 100mg |
$ 65.00 | 2022-06-02 | ||
| TRC | M321838-500mg |
1-Methyl-4-(3-piperidinylmethyl)piperazine |
896054-84-5 | 500mg |
$ 80.00 | 2022-06-02 | ||
| Chemenu | CM281521-1g |
1-Methyl-4-(piperidin-3-ylmethyl)piperazine |
896054-84-5 | 95% | 1g |
$104 | 2022-09-28 | |
| Enamine | EN300-68348-0.05g |
1-methyl-4-[(piperidin-3-yl)methyl]piperazine |
896054-84-5 | 95.0% | 0.05g |
$21.0 | 2025-03-21 | |
| Enamine | EN300-68348-0.1g |
1-methyl-4-[(piperidin-3-yl)methyl]piperazine |
896054-84-5 | 95.0% | 0.1g |
$29.0 | 2025-03-21 | |
| Enamine | EN300-68348-0.25g |
1-methyl-4-[(piperidin-3-yl)methyl]piperazine |
896054-84-5 | 95.0% | 0.25g |
$32.0 | 2025-03-21 | |
| Enamine | EN300-68348-0.5g |
1-methyl-4-[(piperidin-3-yl)methyl]piperazine |
896054-84-5 | 95.0% | 0.5g |
$42.0 | 2025-03-21 | |
| Enamine | EN300-68348-1.0g |
1-methyl-4-[(piperidin-3-yl)methyl]piperazine |
896054-84-5 | 95.0% | 1.0g |
$55.0 | 2025-03-21 | |
| Enamine | EN300-68348-2.5g |
1-methyl-4-[(piperidin-3-yl)methyl]piperazine |
896054-84-5 | 95.0% | 2.5g |
$113.0 | 2025-03-21 |
1-methyl-4-[(piperidin-3-yl)methyl]piperazine Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
Additional information on 1-methyl-4-[(piperidin-3-yl)methyl]piperazine
Comprehensive Overview of 1-methyl-4-[(piperidin-3-yl)methyl]piperazine (CAS No. 896054-84-5)
1-methyl-4-[(piperidin-3-yl)methyl]piperazine (CAS No. 896054-84-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural properties. This compound belongs to the class of piperazine derivatives, which are widely recognized for their versatility in drug design and medicinal chemistry. The presence of both piperidine and piperazine moieties in its structure makes it a valuable intermediate for synthesizing bioactive molecules targeting neurological and metabolic disorders.
In recent years, the demand for piperazine-based compounds has surged, driven by their applications in developing central nervous system (CNS) drugs and GPCR modulators. Researchers are particularly interested in 1-methyl-4-[(piperidin-3-yl)methyl]piperazine due to its potential role in enhancing blood-brain barrier (BBB) permeability, a critical factor in treating neurodegenerative diseases like Alzheimer's and Parkinson's. Its structural flexibility allows for modifications that can improve drug bioavailability and receptor binding affinity, making it a focal point in preclinical studies.
The synthesis of CAS No. 896054-84-5 involves multi-step organic reactions, including reductive amination and N-alkylation, which are optimized for high yield and purity. Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are employed to characterize this compound, ensuring compliance with pharmaceutical-grade standards. Its molecular weight (211.32 g/mol) and logP value (indicative of lipophilicity) further underscore its suitability for drug discovery pipelines.
Beyond pharmaceuticals, 1-methyl-4-[(piperidin-3-yl)methyl]piperazine is explored in agrochemical research for designing novel pesticide adjuvants. Its ability to modulate enzyme activity and ion channels aligns with the growing trend of green chemistry solutions in agriculture. Additionally, its stability under varying pH conditions makes it a candidate for catalysis and material science applications.
As the scientific community prioritizes sustainable synthesis and AI-driven drug discovery, compounds like CAS No. 896054-84-5 are increasingly studied through computational modeling and machine learning algorithms. These approaches accelerate the identification of structure-activity relationships (SAR), reducing reliance on traditional trial-and-error methods. This aligns with industry trends favoring high-throughput screening and fragment-based drug design.
In summary, 1-methyl-4-[(piperidin-3-yl)methyl]piperazine represents a promising scaffold for innovation across multiple disciplines. Its chemical properties, synthetic accessibility, and broad applicability position it as a key player in advancing life sciences and industrial chemistry. Future research will likely focus on optimizing its derivatives for targeted therapies and environmentally friendly formulations.
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