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CS-W001157 4
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4-(Piperidin-4-yl)benzonitrile

  • CAS No. 149554-06-3

  • Cat. No. CS-0159420
  • Purity≥95%
  • MDL No.MFCD03426383

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

4-(Piperidin-4-yl)benzonitrile|CS-0159420

Structure of 149554-06-3

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General Information

  • CAS No. 149554-06-3
  • Cat. No. CS-0159420
  • Purity ≥95%
  • MDL No. MFCD03426383
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂
  • Molecular Weight 186.25
  • Synonym(s) 4-(4'-Cyanophenyl)piperidine
  • SMILES N#CC1=CC=C(C2CCNCC2)C=C1

Description

4-(Piperidin-4-yl)benzonitrile features a conjugated aryl nitrile linked to a piperidine ring, delivering enhanced solubility and metabolic stability. The electron-rich piperidine moiety facilitates hydrogen bonding, while the nitrile group enables directional interactions in target binding. This scaffold integrates readily into kinase inhibitors and CNS-targeted therapeutics, offering robust performance under standard bench conditions.

Application

4-(Piperidin-4-yl)benzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. Its nitrile group facilitates downstream transformations such as amidation, reduction to primary amine, or cyclization into pyridine derivatives. The piperidine moiety provides a basic nitrogen for salt formation and pharmacophore optimization, while the aromatic core supports diverse coupling reactions. Bench-stable and readily purified, it functions effectively in standard synthetic workflows for drug discovery and process 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-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   35.82
  • LogP   2.02528
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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