(S)-tert-butyl 3-(Methoxymethyl)piperazine-1-carboxylate


Chemical Name: (S)-tert-butyl 3-(Methoxymethyl)piperazine-1-carboxylate
CAS Number: 955400-16-5
Product Number: AG00IMNU(AGN-PC-0WA32G)
Synonyms:
MDL No:
Molecular Formula: C11H22N2O3
Molecular Weight: 230.3040

Identification/Properties


Computed Properties
Molecular Weight:
230.308g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
230.163g/mol
Monoisotopic Mass:
230.163g/mol
Topological Polar Surface Area:
50.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
238
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



(S)-tert-Butyl 3-(methoxymethyl)piperazine-1-carboxylate is a versatile compound commonly utilized in chemical synthesis applications. It serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals due to its unique structure and reactivity. This compound can be incorporated into synthetic routes to introduce piperazine and tert-butyl moieties, offering opportunities to modulate properties such as solubility, stability, and pharmacokinetic profiles of the final products. Its presence often enhances the biological activity and efficacy of the resulting molecules, making it a crucial component for designing novel compounds in medicinal chemistry and material science.