4-(4-Fluorophenyl)piperidine hydrochloride - ≥98% , CAS No.6716-98-9

CAS: 6716-98-9 Cat. No.: F185936 Molecular Weight: 215.70 EC Number: 688-920-4

GRADE & PURITY ≥98%

Synonyms

EN300-102279 | SCHEMBL377800 | 4-(4-Fluorophenyl)Piperidinium Chloride | 4-Nitrophenol, spectrophotometric grade | ILPIXXSCUKTFGB-UHFFFAOYSA-N | 4-(4-Fluorophenyl)piperidineHydrochloride | stabilized ethyl parathion | 4-(4-Fluoro-phenyl)-piperidine, HCl |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

EN300-102279 | SCHEMBL377800 | 4-(4-Fluorophenyl)Piperidinium Chloride | 4-Nitrophenol, spectrophotometric grade | ILPIXXSCUKTFGB-UHFFFAOYSA-N | 4-(4-Fluorophenyl)piperidineHydrochloride | stabilized ethyl parathion | 4-(4-Fluoro-phenyl)-piperidine, HCl |

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CNCCC1C2=CC=C(C=C2)F.Cl
• IUPAC Name: 4-(4-fluorophenyl)piperidine;hydrochloride
• InChIKey: ILPIXXSCUKTFGB-UHFFFAOYSA-N
• INCHI: 1S/C11H14FN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-4,10,13H,5-8H2;1H
• Isomeric SMILES: C1CNCCC1C2=CC=C(C=C2)F.Cl
• Molecular Weight: 215.70

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Fluorobenzenes Aralkylamines Aryl fluorides Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 215.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 215.088 Da
• Monoisotopic Mass: 215.088 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 146.000
• 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: 2

XLogP3