GRADE & PURITY ≥95%

Synonyms

TS-00663 | 4-Piperidinecarboxylicacid,1-(2-pyrimidinyl)-,ethyl ester | DTXSID10426550 | FT-0651382 | DS-2024 | ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate;Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate | 1-Pyrimidin-2-yl-piperidine-4-carboxylic acid e

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

TS-00663 | 4-Piperidinecarboxylicacid, 1-(2-pyrimidinyl)-, ethyl ester | DTXSID10426550 | FT-0651382 | DS-2024 | ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate;Ethyl 1-pyrimidin-2-yl-piperidine-4-carboxylate | 1-Pyrimidin-2-yl-piperidine-4-carboxylic acid e

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1CCN(CC1)C2=NC=CC=N2
• IUPAC Name: ethyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
• InChIKey: QMAXUUVHHTYNHC-UHFFFAOYSA-N
• INCHI: 1S/C12H17N3O2/c1-2-17-11(16)10-4-8-15(9-5-10)12-13-6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3
• Isómeros SMILES: CCOC(=O)C1CCN(CC1)C2=NC=CC=N2
• Peso molecular: 235.28
• Reaxy-Rn: 6603231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6603231&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Dialkylarylamines Aminopyrimidines and derivatives Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Dialkylarylamine - Aminopyrimidine - Pyrimidine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 235.280 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 235.132 Da
• Monoisotopic Mass: 235.132 Da
• Topological Polar Surface Area: 55.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 246.000
• 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