CAS 1242339-29-2

3-Piperidinepropanoic acid, 4-(dimethylamino)-1-(phenylmethyl)-, methyl ester, ethanedioate (1:1)

Description:

3-Piperidinepropanoic acid, 4-(dimethylamino)-1-(phenylmethyl)-, methyl ester, ethanedioate (1:1), identified by CAS number 1242339-29-2, is a complex organic compound featuring a piperidine ring, which is a six-membered nitrogen-containing heterocycle. This substance includes a propanoic acid moiety, a dimethylamino group, and a phenylmethyl substituent, indicating its potential for diverse interactions due to the presence of both polar and non-polar functional groups. The methyl ester functionality suggests that it can undergo hydrolysis to yield the corresponding acid, while the ethanedioate component indicates the presence of oxalic acid derivatives, which may influence its solubility and reactivity. The compound's structure implies potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of the piperidine and dimethylamino groups, which are often associated with bioactive compounds. Its specific characteristics, such as melting point, boiling point, and solubility, would require empirical determination or reference to detailed chemical databases for precise values.

Formula: C₁₈H₂₈N₂O₂·C₂H₂O₄

InChI: InChI=1S/C18H28N2O2.C2H2O4/c1-19(2)17-11-12-20(13-15-7-5-4-6-8-15)14-16(17)9-10-18(21)22-3;3-1(4)2(5)6/h4-8,16-17H,9-14H2,1-3H3;(H,3,4)(H,5,6)

InChI key: InChIKey=IQBRODHFIQRMIP-UHFFFAOYSA-N

SMILES: C(CC(OC)=O)C1C(N(C)C)CCN(CC2=CC=CC=C2)C1.C(C(O)=O)(O)=O

Synonyms:

• Methyl 3-[1-benzyl-4-(dimethylamino)piperidin-3-yl]propanoate oxalate
• 3-Piperidinepropanoic acid, 4-(dimethylamino)-1-(phenylmethyl)-, methyl ester, ethanedioate (1:1)
• Methyl 3-(1-benzyl-4-dimethylaminopiperidin-3-yl)propanoate; oxalic acid
• Methyl 3-[1-benzyl-4-(dimethylamino) piperidine-3-yl]propanoate oxalate