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CS-W001157 4
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3-(Piperazin-1-yl)benzoic acid

  • CAS No. 446831-28-3

  • Cat. No. CS-0208459
  • Purity≥98%
  • MDL No.MFCD03444416

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

3-(Piperazin-1-yl)benzoic acid|CS-0208459

Structure of 446831-28-3

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General Information

  • CAS No. 446831-28-3
  • Cat. No. CS-0208459
  • Purity ≥98%
  • MDL No. MFCD03444416
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄N₂O₂
  • Molecular Weight 206.24
  • Synonym(s) Benzoic acid, 3-(1-piperazinyl)-
  • SMILES C1=CC(=CC(=C1)N2CCNCC2)C(=O)O

Description

3-(Piperazin-1-yl)benzoic acid features a piperazine ring tethered to a benzene core, delivering enhanced solubility and hydrogen-bonding capacity. The carboxylic acid group enables direct conjugation or derivatization, making this scaffold valuable in medicinal chemistry for optimizing pharmacokinetic profiles and target engagement.

Application

3-(Piperazin-1-yl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and drug candidates. Its piperazine moiety offers enhanced solubility and hydrogen-bonding capacity, while the carboxylic acid group facilitates straightforward derivatization via amide, ester, or amidation reactions. The compound exhibits good bench stability and is compatible with standard synthetic protocols, making it a practical choice for lead optimization and scaffold diversification in API development.

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.57
  • LogP   0.7944
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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