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4-(4-Chlorophenyl)-4-hydroxypiperidine - ≥97.0%, high purity , CAS No.39512-49-7

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4-(4-Chlorophenyl)-4-hydroxypiperidine - ≥97.0%, high purity , CAS No.39512-49-7

COA

Grade & Purity:

≥97%

Cas Number: 39512-49-7
Molecular Weight: 211.69
MDL number: MFCD00006001
PubChem CID: 38282
PubChem SID: 504753570

In stock

Item Number

C134646

Grouped product items
SKU	Size	Availability	Price
C134646-1g	1g	3	$14.90
C134646-5g	5g	1	$57.90
C134646-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$165.90

View related series

Halogenated heterocyclic block (1171) Piperidines (267)

Basic Description

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 \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Phenylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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

Associated Targets(Human)

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504753570
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753570
IUPAC Name	4-(4-chlorophenyl)piperidin-4-ol
INCHI	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
InChIKey	LZAYOZUFUAMFLD-UHFFFAOYSA-N
Smiles	C1CNCCC1(C2=CC=C(C=C2)Cl)O
Isomeric SMILES	C1CNCCC1(C2=CC=C(C=C2)Cl)O
WGK Germany	3
Molecular Weight	211.69
Reaxy-Rn	165923
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=165923&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
J1613025	Certificate of Analysis	Feb 18, 2024	C134646

Chemical and Physical Properties

Solubility	Solubility in water: 340 mg/L (20°C) Solubility in other solvents: Soluble in methanol, ethanol, 2-propanol, DMF, acetone and dichloromethane
Melt Point(°C)	141 °C
Molecular Weight	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 Å²
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

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