methyl 5,5-difluoropiperidine-3-carboxylate hydrochloride - ≥97%

Cat. No.: M173553

GRADE & PURITY ≥97%

Synonyms

AS-51465 | AKOS025290686 | Methyl 5,?5-?difluoro-?3-?piperidinecarboxylat?e hydrochloride | SCHEMBL18980943 | EN300-1722462 | SB11295 | methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride | Z3244521583 | P12739 | 1359656-87-3 | MFCD20261414 | Methyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AS-51465 | AKOS025290686 | Methyl 5, ?5-?difluoro-?3-?piperidinecarboxylat?e hydrochloride | SCHEMBL18980943 | EN300-1722462 | SB11295 | methyl 5, 5-difluoropiperidine-3-carboxylate;hydrochloride | Z3244521583 | P12739 | 1359656-87-3 | MFCD20261414 | Methyl

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1CC(CNC1)(F)F.Cl
• IUPAC Name: methyl 5,5-difluoropiperidine-3-carboxylate;hydrochloride
• InChIKey: VADFVHAAPLASEX-UHFFFAOYSA-N
• INCHI: 1S/C7H11F2NO2.ClH/c1-12-6(11)5-2-7(8,9)4-10-3-5;/h5,10H,2-4H2,1H3;1H

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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: 215.620 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 215.052 Da
• Monoisotopic Mass: 215.052 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3