(S)-2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine - ≥80% , CAS No.201594-84-5

CAS: 201594-84-5 Cat. No.: S587990 Peso molecular: 302.8 PubChem CID: 10892005

GRADE & PURITY ≥80%

Synonyms

(S)-2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine | MFCD09955359 | (S)-4-[(4-chlorophenyl) (2-pyridyl)methoxy]piperidine | (S)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine | BCP13376 | SCHEMBL2805296 | 2-{(S)-(4-Chlorophenyl)[(piperidin-4-yl)o

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(S)-2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine | MFCD09955359 | (S)-4-[(4-chlorophenyl) (2-pyridyl)methoxy]piperidine | (S)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine | BCP13376 | SCHEMBL2805296 | 2-{(S)-(4-Chlorophenyl)[(piperidin-4-yl)o

Especificaciones y pureza

≥80%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥80%

Nombres e identificadores

• Pubchem Sid: 504765690
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765690
• Sonrisas canónicas: C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3
• IUPAC Name: 2-[(S)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
• InChIKey: OTZYADIPHOGUDN-KRWDZBQOSA-N
• INCHI: 1S/C17H19ClN2O/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15/h1-7,10,15,17,19H,8-9,11-12H2/t17-/m0/s1
• Isómeros SMILES: C1CNCCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3
• PubChem CID: 10892005
• Peso molecular: 302.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Chlorobenzenes Pyridines and derivatives Piperidines Aryl chlorides Heteroaromatic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Pyridine - Heteroaromatic compound - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Propiedades químicas y físicas

• Peso molecular: 302.800 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 302.119 Da
• Monoisotopic Mass: 302.119 Da
• Topological Polar Surface Area: 34.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 301.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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