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Piperazine, 1-(6-bromo-3-pyridinyl)- - 97%, high purity , CAS No.412347-39-8
Basic Description
Synonyms
1-(6-bromopyridin-3-yl)piperazine | 412347-39-8 | 1-(6-BROMO-3-PYRIDINYL)-PIPERAZINE | 1-(6-Bromo-3-pyridinyl)piperazine | CHEMBL209824 | 1-(6-bromo-3-pyridyl)piperazine | MFCD09910228 | Piperazine, 1-(6-bromo-3-pyridinyl)- | SCHEMBL594369 | DTXSID70432218 | OVRZSDRDBJDKBF-U
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpiperazines
Alternative Parents
N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives 2-halopyridines Aryl bromides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridinylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - 2-halopyridine - Aryl bromide - Pyridine - Aryl halide - Heteroaromatic compound - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(6-bromopyridin-3-yl)piperazine
INCHI
InChI=1S/C9H12BrN3/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
InChIKey
OVRZSDRDBJDKBF-UHFFFAOYSA-N
Smiles
C1CN(CCN1)C2=CN=C(C=C2)Br
Isomeric SMILES
C1CN(CCN1)C2=CN=C(C=C2)Br
PubChem CID
9878090
Molecular Weight
242.12
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
242.120 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
241.021 Da
Monoisotopic Mass
241.021 Da
Topological Polar Surface Area
28.200 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
159.000
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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