piperidin-3-one hydrochloride - ≥95% , CAS No.61644-00-6

CAS: 61644-00-6 Cat. No.: P301951 Molecular Weight: 135.59 EC Number: 640-645-0 PubChem CID: 22707028

GRADE & PURITY ≥95%

Synonyms

BCP23072 | 3-Piperidinone hydrochloride | AM20100504 | Piperidin-3-one--hydrogen chloride (1/1) | AKOS005146385 | J-523967 | MFCD06796739 | PIPERIDIN-3-ONE HCL | EN300-206235 | Pperdn-3-one hydrochlorde | Z3063726909 | AC-1207 | KDHKOJFFKXGPKZ-UHFFFAOYSA

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

application：

3-Piperidinone Hydrochloride is a versatile synthetic building block used in various pharmaceutical preparations. 3-Piperidinone Hydrochloride is used as a reactant in the preparation of quinolines and quinazolines for treatment of benign prostatic hyperplasia.

Specifications

Synonyms

BCP23072 | 3-Piperidinone hydrochloride | AM20100504 | Piperidin-3-one--hydrogen chloride (1/1) | AKOS005146385 | J-523967 | MFCD06796739 | PIPERIDIN-3-ONE HCL | EN300-206235 | Pperdn-3-one hydrochlorde | Z3063726909 | AC-1207 | KDHKOJFFKXGPKZ-UHFFFAOYSA

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488200210
• Canonical Smiles: C1CC(=O)CNC1.Cl
• IUPAC Name: piperidin-3-one;hydrochloride
• InChIKey: KDHKOJFFKXGPKZ-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO.ClH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H
• Isomeric SMILES: C1CC(=O)CNC1.Cl
• PubChem CID: 22707028
• Molecular Weight: 135.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Cyclic ketones Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinone - Ketone - Cyclic ketone - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 135.590 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 135.045 Da
• Monoisotopic Mass: 135.045 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Wenyuan Qiu, Xiaoke Wei, Tao Wang, Hao-yan Yin, Haibing Wei.  (2026)  Branched poly(p-terphenylene 3-piperidinium)s for anion exchange membrane water electrolysis.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2026.125473]