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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzoicacid, 3-(4-methyl-1-piperazinyl)-

CN1CCN(CC1)c1cccc(c1)C(=O)O Request for Quotation
Chemical Name: Benzoicacid, 3-(4-methyl-1-piperazinyl)-
CAS Number: 215309-01-6
Product Number: AG003I53(AGN-PC-0LGIHQ)
Synonyms:
MDL No: MFCD06742238
Molecular Formula: C12H16N2O2
Molecular Weight: 220.2676

Identification/Properties

Properties
MP:
187-190 °C
BP:
400.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
220.272g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
220.121g/mol
Monoisotopic Mass:
220.121g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
249
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


In chemical synthesis, 3-(4-Methylpiperazin-1-yl)benzoic acid serves as a versatile building block for the creation of various pharmaceutical compounds. Its unique molecular structure, containing both a piperazine ring and a benzoic acid moiety, allows it to participate in a wide range of reactions and transformations. This compound can be employed as a key intermediate in the synthesis of pharmaceuticals targeting specific biological receptors or pathways. Additionally, its functionality as a piperazine derivative provides opportunities for the design and optimization of drug candidates with enhanced pharmacological properties. The strategic incorporation of 3-(4-Methylpiperazin-1-yl)benzoic acid into molecular structures enables medicinal chemists to modulate the biological activity, solubility, and pharmacokinetic profile of potential drug candidates, highlighting its significance in modern drug discovery efforts.