4′-Piperidinoacetophenone - ≥97% , CAS No.10342-85-5

CAS: 10342-85-5 Cat. No.: P132594 Summenformel: C₁₃H₁₇NO Molekulargewicht: 203.28 EG-Nummer: 233-746-2 PubChem CID: 82561

QUALITÄT & REINHEIT ≥97%

Synonyms

1-(4-(PIPERIDIN-1-YL)PHENYL)ETHANONE | 1-{4-(piperidin-1-yl)phenyl}ethanone | 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride | FS-4084 | 1-[4-(piperidin-1-yl)phenyl]ethan-1-one | Indole, 3-(2-aminoethyl)-5-fluoro-, hydrochloride | SCHEMBL702430

Storage

Room temperature

Shipped In

Normal

Übersicht

4′-Piperidinoacetophenone undergoes Claisen-Schmidt condensation with substituted benzaldehydes using NaOH-Al2O3 by microwave irradiation to give chalcones. It has antimycobacterial activity.
4′-Piperidinoacetophenone was used as internal standard in the determination of pethidine, a narcotic analgesic drug in body fluids by gas chromatography-tandem mass spectrometry. Pharmacological activity: Selective antimycobacterial activity Bronchodilator compound Modulation of flagellar motility in Chlamydomonas

Spezifikationen

Synonyme

1-(4-(PIPERIDIN-1-YL)PHENYL)ETHANONE | 1-{4-(piperidin-1-yl)phenyl}ethanone | 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride | FS-4084 | 1-[4-(piperidin-1-yl)phenyl]ethan-1-one | Indole, 3-(2-aminoethyl)-5-fluoro-, hydrochloride | SCHEMBL702430

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC(=O)C1=CC=C(C=C1)N2CCCCC2

IUPAC Name

1-(4-piperidin-1-ylphenyl)ethanone

InChIKey

JCMZZYSPSGHBNM-UHFFFAOYSA-N

INCHI

1S/C13H17NO/c1-11(15)12-5-7-13(8-6-12)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3

Isomere SMILES

CC(=O)C1=CC=C(C=C1)N2CCCCC2

WGK Deutschland

3

PubChem CID

82561

Molekulargewicht

203.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpiperidines Acetophenones Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpiperidine - Acetophenone - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 85-87°C
• Molekulargewicht: 203.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.131 Da
• Monoisotopic Mass: 203.131 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 213.000
• 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