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CS-W001157 4
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1-Benzylpiperidin-3-one hydrochloride

  • CAS No. 50606-58-1

  • Cat. No. CS-W009502
  • Purity≥95%
  • MDL No.MFCD00012791

*For research and further manufacturing use only, not for direct human use.

1-Benzylpiperidin-3-one hydrochloride|CS-W009502

Structure of 50606-58-1

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General Information

  • CAS No. 50606-58-1
  • Cat. No. CS-W009502
  • Purity ≥95%
  • MDL No. MFCD00012791
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆ClNO
  • Molecular Weight 225.72
  • Synonym(s) N-Benzyl-3-piperidone hydrochloride hydrate
  • SMILES O=C1CN(CC2=CC=CC=C2)CCC1.[H]Cl

Description

1-Benzylpiperidin-3-one hydrochloride features a rigid, electron-deficient piperidinone core with a benzyl group at the nitrogen, enhancing metabolic stability and membrane permeability. This bench-stable, moisture-tolerant compound integrates readily into medicinal chemistry libraries for CNS-targeted drug discovery, serving as a key scaffold in kinase inhibitor and receptor modulator development.

Application

1-Benzylpiperidin-3-one hydrochloride serves as a versatile scaffold in medicinal chemistry, enabling efficient access to piperidine-based pharmacophores. Its bench-stable crystalline form facilitates handling and purification, while the ketone functionality supports diverse transformations including reductive amination, nucleophilic addition, and cyclization reactions. The benzyl group enhances lipophilicity and provides a handle for further derivatization, making it a practical building block for API development and target-oriented synthesis.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.2733
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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