Lot numbers can be found on the outside label of a product:
1-Pyridin-4-ylpiperidin-4-one
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CAS No. 126832-81-3
- Cat. No. CS-W021367
- Purity≥97%
- MDL No.MFCD09030756
*For research and further manufacturing use only, not for direct human use.
Structure of 126832-81-3
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General Information
- CAS No. 126832-81-3
- Cat. No. CS-W021367
- Purity ≥97%
- MDL No. MFCD09030756
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₂N₂O
- Molecular Weight 176.22
- Synonym(s) 2,3,5,6-TETRAHYDRO-[1,4']BIPYRIDINYL-4-ONE
- SMILES N1=CC=C(C=C1)N2CCC(CC2)=O
Description
1-Pyridin-4-ylpiperidin-4-one features a rigid, electron-deficient pyridine ring fused to a piperidinone scaffold, enabling strong hydrogen bonding and π-stacking interactions. This structural motif enhances binding affinity in target-directed ligand design, particularly within kinase inhibition and GPCR modulation applications. The compound exhibits excellent solubility in polar solvents and stability under standard bench conditions, facilitating integration into medicinal chemistry workflows.
Application
1-Pyridin-4-ylpiperidin-4-one serves as a versatile scaffold in medicinal chemistry, enabling the construction of bioactive heterocycles through straightforward functionalization at the piperidinone nitrogen and pyridine ring. Its stability under standard synthetic conditions and compatibility with common coupling reactions facilitate efficient derivatization for target-oriented synthesis. Functions as a key building block in the development of kinase inhibitors and CNS-active compounds.
Synthesis
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Route1
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![8-Pyridin-4-yl-1,4-dioxa-8-azaspiro[4.5]decane|CS-0766859](https://file.chemscene.com/productPIC/CS-0766859.gif)
166954-75-2 - ~98%
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In-stock
126832-81-3
References
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Roche Diagnostics GmbH Patent: US2003/236266 A1, 2003 ; Location in patent: Page 7 ;
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Route2
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5382-16-1 - ~%
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In-stock
126832-81-3
References
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US6403595 B1, ; US 6403595 B1
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Route3
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177-11-7
- ~%
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In-stock
126832-81-3
References
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Tetrahedron Letters, , vol. 48, # 14 p. 2519 - 2525
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 33.2
- LogP 1.2509
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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