[3-(4-methylpiperazin-1-yl)phenyl]methanol


Chemical Name: [3-(4-methylpiperazin-1-yl)phenyl]methanol
CAS Number: 123987-13-3
Product Number: AG000LB7(AGN-PC-07Y3LJ)
Synonyms:
MDL No:
Molecular Formula: C12H18N2O
Molecular Weight: 206.2841

Identification/Properties


Computed Properties
Molecular Weight:
206.289g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
206.142g/mol
Monoisotopic Mass:
206.142g/mol
Topological Polar Surface Area:
26.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound (3-(4-Methylpiperazin-1-yl)phenyl)methanol serves as a valuable building block in chemical synthesis due to its versatile functional groups. Its piperazine moiety, a cyclic amine, offers opportunities for forming stable complexes with various metal ions, making it a useful chelating agent in coordination chemistry. Additionally, the hydroxyl group attached to the phenyl ring enables this compound to participate in a range of organic reactions, such as esterification, oxidation, and nucleophilic substitution. In medicinal chemistry, (3-(4-Methylpiperazin-1-yl)phenyl)methanol can be utilized as a precursor for designing potential drug candidates targeting specific biological pathways, particularly those involving interactions with receptors or enzymes. Furthermore, its structural characteristics make it a promising intermediate for the synthesis of functionalized compounds with diverse applications in pharmaceuticals, materials science, and agrochemicals.