Piperazinium bis (2-carboxypyridine) monohydrate (PPPA) was successfully synthesized and crystal was grown from aqueous solution. PPPA compound crystallized in centric (or achiral) space group P2 1 /C. The lattice perfection was analyzed by high-resolution X-ray diffraction rocking curve measurement. The chemical structure was confirmed by FTIR and NMR spectral studies. The range of optical transmittance of PPPA crystal was elucidated from UV–visible spectral studies. Optical resistance was estimated from LDT studies using Nd:YAG laser. Thermal stability have also investigated for PPPA compound which shows that PPPA crystal is potentially applicable for optical applications. Mechanical stability and material’s category were established from the Vicker’s hardness studies. Growth mechanism of PPPA was revealed from etching studies. The grown crystal was investigated for third order susceptibility by Z-scan technique. It was found to that they behaved as saturable absorber and self defocused in refraction which is essential for optical switching and limiting applications. Its second molecular hyperpolarizability (γ) at 532 nm was estimated to be 3.4746 × 10 −9 esu. © 2019, Springer Science+Business Media, LLC, part of Springer Nature.