4-(4-Chlorophenyl)-4-hydroxypiperidine - ≥97% , CAS No.39512-49-7

CAS: 39512-49-7 Cat. No.: C134646 Summenformel: C₁₁H₁₄ClNO Molekulargewicht: 211.69 EG-Nummer: 254-479-8

GRADE & PURITY ≥97%

Synonyms

FT-0616612 | UND92FKS0W | BRD-K34619475-001-01-6 | C1291 | 4-(4- chlorophenyl)-4-hydroxypiperidine | 4-(4-chloro-phenyl)-piperidin-4-ol | 4-(4-chlorophenyl)-piperidin-4-ol | 4-(4-chlorophenyl)piperidin-4-ol | AC-6533 | EINECS 254-479-8 | NCGC00253709-01 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FT-0616612 | UND92FKS0W | BRD-K34619475-001-01-6 | C1291 | 4-(4- chlorophenyl)-4-hydroxypiperidine | 4-(4-chloro-phenyl)-piperidin-4-ol | 4-(4-chlorophenyl)-piperidin-4-ol | 4-(4-chlorophenyl)piperidin-4-ol | AC-6533 | EINECS 254-479-8 | NCGC00253709-01 |

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504753570
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753570
• Kanonisches Lächeln: C1CNCCC1(C2=CC=C(C=C2)Cl)O
• IUPAC Name: 4-(4-chlorophenyl)piperidin-4-ol
• InChIKey: LZAYOZUFUAMFLD-UHFFFAOYSA-N
• INCHI: 1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
• Isomere SMILES: C1CNCCC1(C2=CC=C(C=C2)Cl)O
• WGK Deutschland: 3
• Molekulargewicht: 211.69
• Reaxy-Rn: 165923
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=165923&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Chlorobenzenes Aralkylamines Aryl chlorides Tertiary alcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Secondary amine - Secondary aliphatic amine - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: 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

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in water: 340 mg/L (20°C) Solubility in other solvents: Soluble in methanol, ethanol, 2-propanol, DMF, acetone and dichloromethane
• Schmelzpunkt (°C): 141 °C
• Molekulargewicht: 211.690 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 211.076 Da
• Monoisotopic Mass: 211.076 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 14
• 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: 1