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CS-W001157 4
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1-(4-Methylbenzyl)piperazin-2-one

  • CAS No. 938458-91-4

  • Cat. No. CS-0133246
  • Purity≥97%
  • MDL No.MFCD09055232

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

1-(4-Methylbenzyl)piperazin-2-one|CS-0133246

Structure of 938458-91-4

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General Information

  • CAS No. 938458-91-4
  • Cat. No. CS-0133246
  • Purity ≥97%
  • MDL No. MFCD09055232
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆N₂O
  • Molecular Weight 204.27
  • Synonym(s) 1-[(4-methylphenyl)methyl]piperazin-2-one
  • SMILES O=C1N(CC2=CC=C(C)C=C2)CCNC1

Description

1-(4-Methylbenzyl)piperazin-2-one features a sterically accessible piperazinone core linked to a methyl-substituted benzyl group, enabling efficient integration into bioactive scaffolds. This moiety combines enhanced solubility with metabolic stability, facilitating use in medicinal chemistry campaigns targeting CNS and oncology applications under standard conditions.

Application

1-(4-Methylbenzyl)piperazin-2-one serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles through standard amide coupling and reductive alkylation protocols. Its piperazinone core offers enhanced solubility and metabolic stability, while the benzylic methyl group provides favorable lipophilicity for membrane permeability. The compound exhibits excellent bench stability and compatibility with diverse functional groups, facilitating straightforward purification and integration into multi-step syntheses.

Safety Information

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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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   0.92682
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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