Cas no 53345-15-6 (1-2-(Pyridin-2-yl)ethylpiperazine)

1-2-(Pyridin-2-yl)ethylpiperazine is a heterocyclic organic compound featuring both pyridine and piperazine moieties, offering versatile reactivity and structural utility in synthetic chemistry. Its bifunctional design enables applications as a key intermediate in pharmaceuticals, agrochemicals, and ligand synthesis for coordination chemistry. The pyridine ring enhances electron-withdrawing properties, while the piperazine group provides flexibility for further functionalization. This compound is particularly valuable in the development of bioactive molecules due to its ability to modulate solubility and binding affinity. High purity grades are available to meet rigorous research and industrial standards, ensuring reproducibility in complex synthetic pathways. Its stability under typical reaction conditions further supports its use in multi-step syntheses.
1-2-(Pyridin-2-yl)ethylpiperazine structure
53345-15-6 structure
Product Name:1-2-(Pyridin-2-yl)ethylpiperazine
CAS No:53345-15-6
MF:C11H17N3
MW:191.272782087326
MDL:MFCD01748645
CID:56396
PubChem ID:566605
Update Time:2025-05-26

1-2-(Pyridin-2-yl)ethylpiperazine Chemical and Physical Properties

Names and Identifiers

    • 1-(2-PYRIDIN-2-YL-ETHYL)-PIPERAZINE
    • 1-(2-PYRIDIN-2-YL-ETHYL)PIPERAZINE
    • 1-[2-(Pyridin-2-ylethyl)]piperazine
    • Piperazine, 2-pyridylethyl-
    • 1-(2-pyridine-2-yl-ethyl)-piperazine
    • AB01334399-02
    • A829526
    • 1-[2-(2-pyridyl)ethyl]piperazine
    • 2-(2-Piperidin-1-yl-ethyl)-pyridine
    • CS-0207498
    • BP-11318
    • Z56347541
    • AKOS000117350
    • F16385
    • MFCD01748645
    • 1-[2-(2-Pyridinyl)ethyl]piperazine
    • 1-[2-(2-Pyridinyl)ethyl]piperazine #
    • FT-0678759
    • 1-(2-(2-pyridylethyl))-piperazine
    • 1-(2-pyridin-2-ylethyl)piperazine
    • 2-Pyridylethylpiperazine
    • 53345-15-6
    • J-502882
    • PS-3020
    • NCGC00342143-01
    • DTXSID70213160
    • 1-[2-(pyridin-2-yl)ethyl]piperazine
    • 1-(2-(pyridin-2-yl)ethyl)piperazine
    • SCHEMBL931507
    • 1-[2-(2-pyridylethyl)]piperazine
    • 1-piperazinyl-2-(2-pyridinyl)ethane
    • 63732-26-3
    • ALBB-005747
    • STK500349
    • 1-2-(Pyridin-2-yl)ethylpiperazine
    • MDL: MFCD01748645
    • Inchi: 1S/C11H17N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-3,5,12H,4,6-10H2
    • InChI Key: NJUNCRDVGUBYCB-UHFFFAOYSA-N
    • SMILES: N1(CCC2C=CC=CN=2)CCNCC1

Computed Properties

  • Exact Mass: 191.14200
  • Monoisotopic Mass: 191.142247555g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • PSA: 28.16000
  • LogP: 0.79600

1-2-(Pyridin-2-yl)ethylpiperazine Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Risk Phrases:R36/37/38
  • Safety Term:S26-S36/37/39

1-2-(Pyridin-2-yl)ethylpiperazine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 1-2-(Pyridin-2-yl)ethylpiperazine

Recent Advances in the Study of 1-2-(Pyridin-2-yl)ethylpiperazine (CAS: 53345-15-6) in Chemical Biology and Pharmaceutical Research

The compound 1-2-(Pyridin-2-yl)ethylpiperazine (CAS: 53345-15-6) has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This heterocyclic compound, featuring a piperazine core linked to a pyridinyl moiety, exhibits unique physicochemical properties that make it a valuable scaffold in drug discovery and development. Recent studies have explored its potential as a building block for novel therapeutic agents, particularly in the areas of central nervous system (CNS) disorders, infectious diseases, and oncology.

A 2023 study published in the Journal of Medicinal Chemistry investigated the role of 1-2-(Pyridin-2-yl)ethylpiperazine as a key intermediate in the synthesis of dopamine D3 receptor antagonists. The research team demonstrated that modifications to this core structure could significantly enhance receptor selectivity and pharmacokinetic properties. The study utilized molecular docking simulations and in vitro binding assays to validate the compound's interactions with target receptors, providing crucial insights for the design of next-generation antipsychotic drugs.

In the field of antimicrobial research, a recent breakthrough was reported in ACS Infectious Diseases (2024), where derivatives of 1-2-(Pyridin-2-yl)ethylpiperazine showed potent activity against drug-resistant strains of Mycobacterium tuberculosis. The lead compound in this series, incorporating the 53345-15-6 scaffold, exhibited a minimum inhibitory concentration (MIC) of 0.5 μg/mL against multidrug-resistant TB strains, representing a significant improvement over current first-line treatments. Mechanistic studies revealed that these compounds target the mycobacterial cell wall biosynthesis pathway through a novel mode of action.

Oncological applications of 1-2-(Pyridin-2-yl)ethylpiperazine derivatives have also shown promise. A 2024 Nature Communications paper described the development of small-molecule inhibitors based on this scaffold that selectively target cancer-associated kinases. The researchers employed structure-activity relationship (SAR) studies to optimize the compound's binding affinity, resulting in candidates with nanomolar potency against several oncogenic kinase targets. Particularly noteworthy was the compound's ability to overcome resistance mutations commonly encountered with existing kinase inhibitors.

From a chemical biology perspective, recent work has focused on utilizing 1-2-(Pyridin-2-yl)ethylpiperazine as a versatile linker for PROTAC (proteolysis targeting chimera) development. A 2023 study in Cell Chemical Biology demonstrated the compound's utility in creating bifunctional molecules that effectively degrade pathological proteins. The researchers highlighted the scaffold's optimal length and flexibility for facilitating productive interactions between the target protein and the E3 ubiquitin ligase complex.

Pharmacokinetic studies of 1-2-(Pyridin-2-yl)ethylpiperazine derivatives have revealed favorable drug-like properties, including good blood-brain barrier penetration and metabolic stability. Recent ADMET (absorption, distribution, metabolism, excretion, and toxicity) profiling published in Drug Metabolism and Disposition (2024) showed that optimized derivatives maintain these advantageous characteristics while minimizing off-target effects. These findings support the continued investigation of this scaffold in CNS-targeted therapeutics.

The synthetic accessibility of 1-2-(Pyridin-2-yl)ethylpiperazine has also been improved through recent methodological advances. A 2024 Organic Process Research & Development publication described a scalable, green chemistry approach to producing this intermediate with high yield and purity. The new synthetic route addresses previous challenges in large-scale production, making the compound more accessible for both academic research and industrial applications.

Looking forward, the unique properties of 1-2-(Pyridin-2-yl)ethylpiperazine (CAS: 53345-15-6) position it as a promising scaffold for addressing multiple unmet medical needs. Current research directions include exploring its potential in targeted protein degradation, allosteric modulator development, and as a component of antibody-drug conjugates. The compound's versatility and demonstrated biological activities suggest it will remain an important focus of chemical biology and medicinal chemistry research in the coming years.

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