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CS-W001157 4
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Ethyl 2-(piperazin-1-yl)acetate

  • CAS No. 40004-08-8

  • Cat. No. CS-W010769
  • Purity≥97%
  • MDL No.MFCD00040739

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

Ethyl 2-(piperazin-1-yl)acetate|CS-W010769

Structure of 40004-08-8

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General Information

  • CAS No. 40004-08-8
  • Cat. No. CS-W010769
  • Purity ≥97%
  • MDL No. MFCD00040739
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆N₂O₂
  • Molecular Weight 172.23
  • Synonym(s) ETHYL PIPERAZINOACETATE
  • SMILES CCOC(=O)CN1CCNCC1

Description

Ethyl 2-(piperazin-1-yl)acetate features a piperazine ring linked to an ethyl ester-functionalized acetyl moiety, delivering enhanced solubility and nucleophilicity. This bifunctional scaffold integrates readily into medicinal chemistry libraries, serving as a key intermediate for bioactive compound synthesis. The molecule exhibits bench-stable handling under standard conditions.

Application

Ethyl 2-(piperazin-1-yl)acetate serves as a versatile bifunctional building block in medicinal chemistry, enabling the synthesis of piperazine-containing scaffolds prevalent in pharmaceuticals. The ester group facilitates straightforward derivatization via hydrolysis or nucleophilic substitution, while the pendant piperazine nitrogen supports salt formation and hydrogen bonding in drug-target interactions. Its bench-stable nature and compatibility with standard coupling protocols make it a practical choice for iterative compound library generation.

Safety Information

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

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   -0.5453
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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