GRADE & PURITY ≥97%

Synonyms

4-[(4-fluorophenyl)carbonyl]piperidine | (4-Fluoro-phenyl)-piperidin-4-yl-methanone | (4-Fluoro-phenyl)-piperidin4-yl-methanone | (4-fluorophenyl)piperidin-4-ylmethanone | BB 0258952 | CCG-243729 | (4-fluorophenyl)(piperidin-4-yl)methanone | 4-(P-FLUOROBE

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

4-[(4-fluorophenyl)carbonyl]piperidine | (4-Fluoro-phenyl)-piperidin-4-yl-methanone | (4-Fluoro-phenyl)-piperidin4-yl-methanone | (4-fluorophenyl)piperidin-4-ylmethanone | BB 0258952 | CCG-243729 | (4-fluorophenyl)(piperidin-4-yl)methanone | 4-(P-FLUOROBE

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC1C(=O)C2=CC=C(C=C2)F
• IUPAC Name: (4-fluorophenyl)-piperidin-4-ylmethanone
• InChIKey: ABERUOJGWHYBJL-UHFFFAOYSA-N
• INCHI: 1S/C12H14FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2
• Isómeros SMILES: C1CNCCC1C(=O)C2=CC=C(C=C2)F
• WGK Alemania: 3
• PubChem CID: 2724440
• Peso molecular: 207.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Piperidines Gamma-amino ketones Aryl fluorides Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Gamma-aminoketone - Benzenoid - Piperidine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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

Objetivos asociados (humanos)

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

Discover Target: HTR2C

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CD209 Tchem CD209 antigen (101 Activities)

Discover Target: CD209

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 207.240 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 207.106 Da
• Monoisotopic Mass: 207.106 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 218.000
• 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