(4-Chlorophenyl)(piperidin-1-yl)methanone - ≥96% , CAS No.26163-40-6

CAS: 26163-40-6 Cat. No.: C183239 Molecular Weight: 223.7

GRADE & PURITY ≥96%

Synonyms

1-(4-chlorobenzoyl)piperidine methanone | SR-01000402652-1 | J-016289 | HMS1544P10 | SR-01000402652 | A877344 | AKOS000374093 | BRD-K20676780-001-01-2 | (4-chlorophenyl)-piperidin-1-ylmethanone | BS-22146 | NSC 14877 | NSC14877 | NSC-14877 | SB43798 | (4-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-(4-chlorobenzoyl)piperidine methanone | SR-01000402652-1 | J-016289 | HMS1544P10 | SR-01000402652 | A877344 | AKOS000374093 | BRD-K20676780-001-01-2 | (4-chlorophenyl)-piperidin-1-ylmethanone | BS-22146 | NSC 14877 | NSC14877 | NSC-14877 | SB43798 | (4-

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504757943
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757943
• Canonical Smiles: C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl
• IUPAC Name: (4-chlorophenyl)-piperidin-1-ylmethanone
• InChIKey: GFOLEAQQESSXFL-UHFFFAOYSA-N
• INCHI: 1S/C12H14ClNO/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
• Isomeric SMILES: C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl
• Molecular Weight: 223.7
• Reaxy-Rn: 1284931
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1284931&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzoylpiperidines
• Alternative Parents: N-benzoylpiperidines 4-halobenzoic acids and derivatives Benzamides Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-benzoylpiperidine - N-benzoylpiperidine - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 223.700 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 223.076 Da
• Monoisotopic Mass: 223.076 Da
• Topological Polar Surface Area: 20.300 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