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CS-W001157 4
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1-Benzylpiperidine-2-carboxylic acid

  • CAS No. 21319-53-9

  • Cat. No. CS-W021298
  • Purity≥97%
  • MDL No.MFCD00756921

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

1-Benzylpiperidine-2-carboxylic acid|CS-W021298

Structure of 21319-53-9

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General Information

  • CAS No. 21319-53-9
  • Cat. No. CS-W021298
  • Purity ≥97%
  • MDL No. MFCD00756921
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO₂
  • Molecular Weight 219.28
  • Synonym(s) 2-Piperidinecarboxylic acid, 1-(phenylmethyl)-
  • SMILES C(C1=CC=CC=C1)N2CCCCC2C(=O)O

Description

1-Benzylpiperidine-2-carboxylic acid features a rigid, electron-rich piperidine core functionalized with a benzyl group and a carboxylic acid at the 2-position, enabling direct incorporation into bioactive scaffolds. This structure supports hydrogen bonding and dipole interactions, enhancing target affinity in medicinal chemistry applications.

Application

1-Benzylpiperidine-2-carboxylic acid serves as a versatile scaffold for medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and functionalization reactions. Its benzylic piperidine core offers enhanced metabolic stability and favorable physicochemical properties, while the carboxylic acid group facilitates direct derivatization or incorporation into peptide-like structures. The compound exhibits good bench stability and is amenable to purification via standard chromatographic techniques, supporting its use in iterative synthesis campaigns.

Synthesis

  • Route1
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      4043-87-2
    • ~%
    • In-stock
      1-Benzylpiperidine-2-carboxylic acid|CS-W021298
      21319-53-9

    References

    • Tetrahedron Letters, , vol. 38, # 32 p. 5731 - 5734

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

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   2.1257
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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