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3,3-Dimethylpiperidin-4-one hydrochloride

  • CAS No. 648921-37-3

  • Cat. No. CS-0019268
  • Purity≥97%
  • MDL No.MFCD11043097

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

3,3-Dimethylpiperidin-4-one hydrochloride|CS-0019268

Structure of 648921-37-3

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General Information

  • CAS No. 648921-37-3
  • Cat. No. CS-0019268
  • Purity ≥97%
  • MDL No. MFCD11043097
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄ClNO
  • Molecular Weight 163.65
  • Synonym(s) 3,3-Dimethylpiperidin-4-one hydrochloride; 4-Piperidinone, 3,3-dimethyl-, hydrochloride
  • SMILES O=C1C(C)(C)CNCC1.[H]Cl

Description

3,3-Dimethylpiperidin-4-one hydrochloride is a bench-stable, moisture-tolerant heterocyclic building block featuring a sterically hindered amide-like carbonyl. This piperidinone scaffold integrates readily into medicinal chemistry campaigns, offering enhanced metabolic stability and favorable solubility in polar solvents for downstream functionalization.

Application

3,3-Dimethylpiperidin-4-one hydrochloride serves as a versatile scaffold in medicinal chemistry, offering enhanced metabolic stability and favorable physicochemical properties. Its constrained piperidinone core enables efficient derivatization via nucleophilic addition or reductive amination, facilitating rapid access to diverse heterocyclic libraries. The hydrochloride salt form enhances solubility and crystallinity, simplifying purification and handling in high-throughput synthesis workflows.

Synthesis

  • Route1

    References

    • HELSINN HEALTHCARE S.A.; GARCIA RUBIO, Silvina; PIETRA, Claudio; GIULIANO, Claudio; LI, Zhigang Patent: WO2012/113103 A1, 2012 ; Location in patent: Page/Page column 61 ; WO 2012/113103 A1

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   29.1
  • LogP   0.9968
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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