clorhidrato de 4-(4-Fluorofenil)piperidin-4-ol - ≥95% , CAS No.3929-30-4

CAS: 3929-30-4 Cat. No.: F193174 Peso molecular: 231.69 Número EC: 672-384-3

GRADE & PURITY ≥95%

Synonyms

DTXSID10374643 | 4-(FLUOROPHENYL)-4-HYDROXYLPIPERIDINE HCL | 4-(4-Fluorophenyl)piperidin-4-ol HCl | EN300-7404397 | Z1741960979 | 4-(4-Fluoro-phenyl)-piperidin-4-ol, HCl | DS-6309 | 4-(4-fluorophenyl)piperidin-4-ol;hydrochloride | AKOS016013086 | AB29276

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

DTXSID10374643 | 4-(FLUOROPHENYL)-4-HYDROXYLPIPERIDINE HCL | 4-(4-Fluorophenyl)piperidin-4-ol HCl | EN300-7404397 | Z1741960979 | 4-(4-Fluoro-phenyl)-piperidin-4-ol, HCl | DS-6309 | 4-(4-fluorophenyl)piperidin-4-ol;hydrochloride | AKOS016013086 | AB29276

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC1(C2=CC=C(C=C2)F)O.Cl
• IUPAC Name: 4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
• InChIKey: XWAMSNBDXDQRRN-UHFFFAOYSA-N
• INCHI: 1S/C11H14FNO.ClH/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11;/h1-4,13-14H,5-8H2;1H
• Isómeros SMILES: C1CNCCC1(C2=CC=C(C=C2)F)O.Cl
• Peso molecular: 231.69
• Reaxy-Rn: 14285818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14285818&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Fluorobenzenes Aralkylamines Aryl fluorides Tertiary alcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Secondary aliphatic amine - Azacycle - Secondary amine - Alcohol - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to 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

Propiedades químicas y físicas

• Peso molecular: 231.690 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 231.083 Da
• Monoisotopic Mass: 231.083 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 184.000
• 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: 2

XLogP3