1-Benzoylpiperidine - ≥98% , CAS No.776-75-0

CAS: 776-75-0 Cat. No.: B405272 Summenformel: C₁₂H₁₅NO Molekulargewicht: 189.26 EG-Nummer: 212-280-3

GRADE & PURITY ≥98%

Synonyms

MLS002637604 | Protectine I | DTXSID80228265 | AKOS000491597 | B5512 | FT-0659564 | MFCD00023702 | phenyl(1-piperidyl)methanone | EN300-1265370 | 0OL | N-Benzoylpiperidin | AC-907/25014313 | alpha-Repellin | EINECS 212-280-3 | D89138 | NSC 26344 | R-162 |

Storage

Room temperature

Übersicht

Maximum Absorption Wavelength:224nm

Specifications

Synonyme

MLS002637604 | Protectine I | DTXSID80228265 | AKOS000491597 | B5512 | FT-0659564 | MFCD00023702 | phenyl(1-piperidyl)methanone | EN300-1265370 | 0OL | N-Benzoylpiperidin | AC-907/25014313 | alpha-Repellin | EINECS 212-280-3 | D89138 | NSC 26344 | R-162 |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488184429

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184429

Kanonisches Lächeln

C1CCN(CC1)C(=O)C2=CC=CC=C2

IUPAC Name

phenyl(piperidin-1-yl)methanone

InChIKey

YXTROGRGRSPWKL-UHFFFAOYSA-N

INCHI

1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2

Isomere SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2

RTECS

TM4600000

Molekulargewicht

189.26

Reaxy-Rn

136611

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136611&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzoylpiperidines
• Alternative Parents: N-benzoylpiperidines Benzamides Tertiary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzoylpiperidine - 1-benzoylpiperidine - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Piperidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl 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

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Siedepunkt (°C): 321 °C
• Schmelzpunkt (°C): 50 °C
• Molekulargewicht: 189.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.115 Da
• Monoisotopic Mass: 189.115 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 190.000
• 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