2-[4-(Methylamino)piperidin-1-yl]ethan-1-ol , CAS No.1183836-67-0

CAS: 1183836-67-0 Cat. No.: M1268194 Molecular Weight: 158.24 PubChem CID: 59303556

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CNC1CCN(CC1)CCO
• IUPAC Name: 2-[4-(methylamino)piperidin-1-yl]ethanol
• InChIKey: XSDQGXWBPFCWDX-UHFFFAOYSA-N
• INCHI: 1S/C8H18N2O/c1-9-8-2-4-10(5-3-8)6-7-11/h8-9,11H,2-7H2,1H3
• Isomeric SMILES: CNC1CCN(CC1)CCO
• PubChem CID: 59303556
• Molecular Weight: 158.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Aminopiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Aminopiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopiperidines
• Alternative Parents: Trialkylamines 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 4-aminopiperidine - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrocarbon derivative - Amine - Organic oxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopiperidines. These are compounds containing a piperidine that carries an amino 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: 158.240 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 158.142 Da
• Monoisotopic Mass: 158.142 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 100.000
• 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