1-(2-Methylquinolin-4-YL)piperidin-4-OL - ≥95% , CAS No.927801-80-7

CAS: 927801-80-7 Cat. No.: M1025869 Molecular Weight: 242.320

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1=NC2=CC=CC=C2C(=C1)N3CCC(CC3)O
• IUPAC Name: 1-(2-methylquinolin-4-yl)piperidin-4-ol
• InChIKey: ZKYGAOUQTKMZKM-UHFFFAOYSA-N
• INCHI: 1S/C15H18N2O/c1-11-10-15(17-8-6-12(18)7-9-17)13-4-2-3-5-14(13)16-11/h2-5,10,12,18H,6-9H2,1H3
• Molecular Weight: 242.320

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Dialkylarylamines Methylpyridines Aminopyridines and derivatives Piperidines Benzenoids Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Methylpyridine - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Secondary alcohol - Tertiary amine - Azacycle - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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: 242.320 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 242.142 Da
• Monoisotopic Mass: 242.142 Da
• Topological Polar Surface Area: 36.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 276.000
• 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