CAS 1354752-73-0

1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1), (3R)-

Description:

1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, in complex with N-cyclohexylcyclohexanamine, is a chemical compound characterized by its piperidine backbone, which features two carboxylic acid groups and a phenylmethyl substituent. The presence of the tert-butyl ester group enhances its lipophilicity, potentially influencing its solubility and bioavailability. The compound's stereochemistry is indicated by the (3R) configuration, suggesting specific spatial arrangements that may affect its biological activity and interactions. The complexation with N-cyclohexylcyclohexanamine may enhance its pharmacological properties, possibly affecting its binding affinity to biological targets. This compound is of interest in medicinal chemistry, particularly for its potential applications in drug development, where the structural features can be tailored for specific therapeutic effects. Its CAS number, 1354752-73-0, allows for precise identification in chemical databases, facilitating research and development efforts. Overall, the compound's unique structural characteristics suggest a potential for diverse applications in pharmaceuticals and related fields.

Formula: C₁₈H₂₅NO₄·C₁₂H₂₃N

InChI: InChI=1S/C18H25NO4.C12H23N/c1-17(2,3)23-16(22)19-11-7-10-18(13-19,15(20)21)12-14-8-5-4-6-9-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21);11-13H,1-10H2/t18-;/m1./s1

InChI key: InChIKey=NRRTTYWPXUOKJW-GMUIIQOCSA-N

SMILES: C([C@@]1(C(O)=O)CN(C(OC(C)(C)C)=O)CCC1)C2=CC=CC=C2.N(C1CCCCC1)C2CCCCC2

Synonyms:

• 1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1), (3R)-
• (3R)-3-Benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid; N-cyclohexylcyclohexanamine