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Ethyl 4-cyanopiperidine-4-carboxylate hydrochloride

  • CAS No. 123730-64-3

  • Cat. No. CS-0151863
  • Purity≥98%
  • MDL No.MFCD24387236

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

Ethyl 4-cyanopiperidine-4-carboxylate hydrochloride|CS-0151863

Structure of 123730-64-3

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General Information

  • CAS No. 123730-64-3
  • Cat. No. CS-0151863
  • Purity ≥98%
  • MDL No. MFCD24387236
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₅ClN₂O₂
  • Molecular Weight 218.68
  • Synonym(s) ethyl 4-cyanopiperidine-4-carboxylate HCl
  • SMILES CCOC(=O)C1(CCNCC1)C#N.Cl

Description

Ethyl 4-cyanopiperidine-4-carboxylate hydrochloride features a rigid piperidine core bearing both cyano and ester functionalities, enabling direct incorporation into diverse heterocyclic scaffolds. The hydrochloride salt enhances solubility and stability under standard conditions, facilitating efficient derivatization in medicinal chemistry campaigns.

Application

Ethyl 4-cyanopiperidine-4-carboxylate hydrochloride serves as a versatile building block in medicinal chemistry, enabling efficient access to piperidine-based scaffolds. The molecule combines a stable cyanide group with an ester functionality, offering orthogonal reactivity for downstream transformations. Its crystalline solid form ensures ease of handling and purification, while the hydrochloride salt enhances solubility and shelf stability—ideal for high-throughput synthesis and process development workflows.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   62.12
  • LogP   0.86468
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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