1-(Piperidin-4-yl)piperidine-2,6-dione , CAS No.75483-36-2

CAS: 75483-36-2 Cat. No.: P953400 Molecular Weight: 196.250

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C(=O)C1)C2CCNCC2
• IUPAC Name: 1-piperidin-4-ylpiperidine-2,6-dione
• InChIKey: ZOPIOPFLRYDFRD-UHFFFAOYSA-N
• INCHI: 1S/C10H16N2O2/c13-9-2-1-3-10(14)12(9)8-4-6-11-7-5-8/h8,11H,1-7H2
• Molecular Weight: 196.250

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: Piperidinediones
• Alternative Parents: Delta lactams N-substituted carboxylic acid imides Dicarboximides Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinedione - Delta-lactam - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Lactam - Amino acid or derivatives - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinediones. These are compounds containing a piperidine ring which bears two ketones.
• 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: 196.250 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 196.121 Da
• Monoisotopic Mass: 196.121 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 231.000
• 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: 1