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CS-W001157 4
Total: USD 88.00

4-Methylpiperidine-4-carbonitrilehydrochloride

  • CAS No. 948894-26-6

  • Cat. No. CS-W020411
  • Molecule weight160.64
  • Purity≥97%
  • MDL No.MFCD12406584

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

4-Methylpiperidine-4-carbonitrilehydrochloride|CS-W020411

Structure of 948894-26-6

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General Information

  • CAS No. 948894-26-6
  • Cat. No. CS-W020411
  • Purity ≥97%
  • MDL No. MFCD12406584
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃ClN₂
  • Molecular Weight 160.64
  • Synonym(s) 4-Methylpiperidine-4-carbonitrile hydrochloride
  • SMILES N#CC1(CCNCC1)C.[H]Cl

Description

4-Methylpiperidine-4-carbonitrile hydrochloride features a sterically hindered piperidine core bearing a nitrile group at the 4-position, delivering enhanced stability and improved solubility in polar solvents. This bench-stable salt serves as a key intermediate in the synthesis of bioactive molecules, particularly in medicinal chemistry applications requiring robust nitrogen-containing scaffolds.

Application

4-Methylpiperidine-4-carbonitrile hydrochloride serves as a versatile building block in medicinal chemistry, enabling efficient access to nitrogen-containing heterocycles. Its stable cationic form facilitates straightforward incorporation into target molecules, while the nitrile group supports downstream transformations such as amide formation or ring expansion. The molecule exhibits excellent bench stability and compatibility with common synthetic protocols, making it ideal for iterative library synthesis and process-scale applications.

Synthesis

  • Route1

    References

    • WO2007/102771 A1, ; Page/Page column 87-88 ; WO 2007/102771 A1
  • Route2

    References

    • WO2010/138490 A1, ; Page/Page column 33 ;
  • Route3
    • tert-Butyl 4-carbamoyl-4-methylpiperidine-1-carboxylate|CS-0171861
      343788-67-0
    • null|null
      407-25-0
    • ~%
    • In-stock
      4-Methylpiperidine-4-carbonitrilehydrochloride|CS-W020411
      948894-26-6
    • In-stock
      4-Methylpiperidine-4-carboxamide hydrochloride|CS-0318648
      1257301-28-2

    References

    • WO2010/138487 A1, ; Page/Page column 130-131 ; WO 2010/138487 A1

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   35.82
  • LogP   1.32148
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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