Cyclopropanecarboxylic acid, 1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl ester , Antiinflammatory, antioxidant, CAS No.627085-11-4, Antiinflammatory, antioxidant

CAS: 627085-11-4 Cat. No.: C671078 Molecular Weight: 241.33 PubChem CID: 10131000

Synonyms

OT-551 | DB05650 | DZ02S3A31N | 4-cyclopropanoyloxy-1-hydroxyl-2,2,6,6-tetramethylpiperidine | CHEMBL4297313 | UNII-DZ02S3A31N | 1-oxyl-4-cyclopropanecarbonyloxy-2,2,6,6-tetramethylpiperidine | SCHEMBL3692374 | Cyclopropanecarboxylic acid, 1-hydroxy-2,2,6

Storage

Room temperature

Specifications

Synonyms

OT-551 | DB05650 | DZ02S3A31N | 4-cyclopropanoyloxy-1-hydroxyl-2, 2, 6, 6-tetramethylpiperidine | CHEMBL4297313 | UNII-DZ02S3A31N | 1-oxyl-4-cyclopropanecarbonyloxy-2, 2, 6, 6-tetramethylpiperidine | SCHEMBL3692374 | Cyclopropanecarboxylic acid, 1-hydroxy-2, 2, 6

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Antiinflammatory, antioxidant

Product Properties

• ALogP: 1.9

Names and Identifiers

• Canonical Smiles: CC1(CC(CC(N1O)(C)C)OC(=O)C2CC2)C
• IUPAC Name: (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) cyclopropanecarboxylate
• InChIKey: ZWEXEKJLDHNLLA-UHFFFAOYSA-N
• INCHI: 1S/C13H23NO3/c1-12(2)7-10(8-13(3,4)14(12)16)17-11(15)9-5-6-9/h9-10,16H,5-8H2,1-4H3
• Isomeric SMILES: CC1(CC(CC(N1O)(C)C)OC(=O)C2CC2)C
• PubChem CID: 10131000
• Molecular Weight: 241.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters N-organohydroxylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Azacycle - N-organohydroxylamine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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: 241.330 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 241.168 Da
• Monoisotopic Mass: 241.168 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 303.000
• 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