N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide hydrochloride - ≥95% , CAS No.1423027-20-6

CAS: 1423027-20-6 Cat. No.: N948790 Molecular Weight: 291.170

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CNCCC1C(=O)NC2=C(C=CC(=C2)Cl)O.Cl
• IUPAC Name: N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide;hydrochloride
• InChIKey: VQJPUKDRGDKBFZ-UHFFFAOYSA-N
• INCHI: 1S/C12H15ClN2O2.ClH/c13-9-1-2-11(16)10(7-9)15-12(17)8-3-5-14-6-4-8;/h1-2,7-8,14,16H,3-6H2,(H,15,17);1H
• Molecular Weight: 291.170

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Piperidinecarboxamides P-chlorophenols N-arylamides Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperidinecarboxamide - Anilide - 4-halophenol - 4-chlorophenol - N-arylamide - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Piperidine - Aryl chloride - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrochloride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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: 291.170 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 290.059 Da
• Monoisotopic Mass: 290.059 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 269.000
• 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: 2

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