1-(Pyridin-2-yl)piperidine-4-carboxylic acid - ≥95% , CAS No.685827-70-7

CAS: 685827-70-7 Cat. No.: P589879 Molecular Weight: 206.25 EC Number: 674-806-1 PubChem CID: 17750381

GRADE & PURITY ≥95%

Synonyms

1-(Pyridin-2-yl)piperidine-4-carboxylic acid | AKOS000174265 | 1-(pyridin-2-yl)piperidi ne-4-carboxylic acid | 1-Pyridin-2-yl-piperidine-4-carboxylic acid | 1-pyridin-2-ylpiperidine-4-carboxylic acid | n-(pyrid-2-yl)piperidine-4-carboxylic acid | SCHEMBL2

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

1-(Pyridin-2-yl)piperidine-4-carboxylic acid | AKOS000174265 | 1-(pyridin-2-yl)piperidi ne-4-carboxylic acid | 1-Pyridin-2-yl-piperidine-4-carboxylic acid | 1-pyridin-2-ylpiperidine-4-carboxylic acid | n-(pyrid-2-yl)piperidine-4-carboxylic acid | SCHEMBL2

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CN(CCC1C(=O)O)C2=CC=CC=N2
• IUPAC Name: 1-pyridin-2-ylpiperidine-4-carboxylic acid
• InChIKey: NUPQTEYBFNCZHX-UHFFFAOYSA-N
• INCHI: 1S/C11H14N2O2/c14-11(15)9-4-7-13(8-5-9)10-3-1-2-6-12-10/h1-3,6,9H,4-5,7-8H2,(H,14,15)
• Isomeric SMILES: C1CN(CCC1C(=O)O)C2=CC=CC=N2
• PubChem CID: 17750381
• Molecular Weight: 206.25

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: Dialkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic 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: 206.240 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.106 Da
• Monoisotopic Mass: 206.106 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• 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