1-benzyl-3-hydroxy-piperidine-4-carbonitrile - ≥97% , CAS No.1782225-63-1

CAS: 1782225-63-1 Cat. No.: B630383 Molecular Weight: 216.28 EC Number: 827-250-0 PubChem CID: 74321265

GRADE & PURITY ≥97%

Synonyms

PS-16092 | 1013333-20-4 | 1782225-63-1 | F85940 | SCHEMBL21806054 | 1-benzyl-3-hydroxy-piperidine-4-carbonitrile | 1-BENZYL-3-HYDROXYPIPERIDINE-4-CARBONITRILE | SB22752

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

PS-16092 | 1013333-20-4 | 1782225-63-1 | F85940 | SCHEMBL21806054 | 1-benzyl-3-hydroxy-piperidine-4-carbonitrile | 1-BENZYL-3-HYDROXYPIPERIDINE-4-CARBONITRILE | SB22752

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CN(CC(C1C#N)O)CC2=CC=CC=C2
• IUPAC Name: 1-benzyl-3-hydroxypiperidine-4-carbonitrile
• InChIKey: XZYDMOVDIBVPOL-UHFFFAOYSA-N
• INCHI: 1S/C13H16N2O/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-7,9-10H2
• Isomeric SMILES: C1CN(CC(C1C#N)O)CC2=CC=CC=C2
• Alternate CAS: 1013333-20-4
• PubChem CID: 74321265
• Molecular Weight: 216.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Trialkylamines Secondary alcohols 1,2-aminoalcohols Nitriles Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Nitrile - Carbonitrile - Azacycle - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Cyanide - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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