(6-Aminopyridin-2-yl)(1-methylpiperidin-4-yl)methanone - ≥98% , CAS No.613678-03-8

CAS: 613678-03-8 Cat. No.: A589655 Molecular Weight: 219.28

GRADE & PURITY ≥98%

Synonyms

BCP17048 | QC-923 | E84260 | BS-49738 | C12H17N3O | (6-Amino-2-pyridinyl)(1-methyl-4-piperidinyl)methanone | SCHEMBL2533687 | Methanone, (6-amino-2-pyridinyl)(1-methyl-4-piperidinyl)- | 2-Amino-6-(1-methylpiperidin-4-ylcarbonyl)pyridine | (6-aminopyridin-

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

BCP17048 | QC-923 | E84260 | BS-49738 | C12H17N3O | (6-Amino-2-pyridinyl)(1-methyl-4-piperidinyl)methanone | SCHEMBL2533687 | Methanone, (6-amino-2-pyridinyl)(1-methyl-4-piperidinyl)- | 2-Amino-6-(1-methylpiperidin-4-ylcarbonyl)pyridine | (6-aminopyridin-

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766382
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766382
• Canonical Smiles: CN1CCC(CC1)C(=O)C2=NC(=CC=C2)N
• IUPAC Name: (6-aminopyridin-2-yl)-(1-methylpiperidin-4-yl)methanone
• InChIKey: YLTJVIIEHKBRPA-UHFFFAOYSA-N
• INCHI: 1S/C12H17N3O/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10/h2-4,9H,5-8H2,1H3,(H2,13,14)
• Isomeric SMILES: CN1CCC(CC1)C(=O)C2=NC(=CC=C2)N
• Molecular Weight: 219.28
• Reaxy-Rn: 14611294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14611294&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Aminopyridines and derivatives Piperidines Imidolactams Gamma-amino ketones Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Aminopyridine - Gamma-aminoketone - Piperidine - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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: 219.280 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 219.137 Da
• Monoisotopic Mass: 219.137 Da
• Topological Polar Surface Area: 59.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 249.000
• 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