1-(Tetrahydro-2H-pyran-4-yl)piperidin-4-amine dihydrochloride - ≥95% , CAS No.755039-78-2

CAS: 755039-78-2 Cat. No.: P732481 Molecular Weight: 257.2 EC Number: 851-554-2 PubChem CID: 45156751

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CN(CCC1N)C2CCOCC2.Cl.Cl
• IUPAC Name: 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride
• InChIKey: HYXJEJRVAXONMK-UHFFFAOYSA-N
• INCHI: 1S/C10H20N2O.2ClH/c11-9-1-5-12(6-2-9)10-3-7-13-8-4-10;;/h9-10H,1-8,11H2;2*1H
• Isomeric SMILES: C1CN(CCC1N)C2CCOCC2.Cl.Cl
• Alternate CAS: 755039-78-2,794471-13-9
• PubChem CID: 45156751
• Molecular Weight: 257.2

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: Oxanes Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 4-aminopiperidine - Oxane - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - 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: 257.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 256.111 Da
• Monoisotopic Mass: 256.111 Da
• Topological Polar Surface Area: 38.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 149.000
• 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: 3

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