1,2-Bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid - ≥98% , CAS No.656243-36-6

CAS: 656243-36-6 Cat. No.: B1300940 Peso molecular: 355.4

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC=C(C=C3)OC)C(=O)O
• IUPAC Name: 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
• InChIKey: CJZDORXRRYGTMN-UHFFFAOYSA-N
• INCHI: 1S/C20H21NO5/c1-25-15-7-3-13(4-8-15)19-17(20(23)24)11-12-18(22)21(19)14-5-9-16(26-2)10-6-14/h3-10,17,19H,11-12H2,1-2H3,(H,23,24)
• Peso molecular: 355.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Methoxyanilines Piperidinecarboxylic acids Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Delta lactams Piperidinones Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Piperidinecarboxylic acid - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Piperidinone - Delta-lactam - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

Propiedades químicas y físicas

• Peso molecular: 355.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 355.142 Da
• Monoisotopic Mass: 355.142 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 494.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1