CAS 1401966-70-8

1,1-Dimethylethyl 4-[[4-(hydroxymethyl)-1-piperidinyl]methyl]benzoate

Description:

1,1-Dimethylethyl 4-[[4-(hydroxymethyl)-1-piperidinyl]methyl]benzoate, identified by its CAS number 1401966-70-8, is a chemical compound that features a complex structure incorporating both aromatic and aliphatic components. It contains a benzoate moiety, which is an ester derived from benzoic acid, and is substituted with a piperidine ring that has a hydroxymethyl group. This compound is characterized by its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to the presence of the piperidine structure, which is often associated with biological activity. The presence of the tert-butyl group (1,1-dimethylethyl) may enhance lipophilicity, influencing the compound's solubility and permeability. Additionally, the hydroxymethyl group can serve as a site for further chemical modifications, making it a versatile intermediate in synthetic chemistry. Overall, this compound's unique structural features contribute to its potential utility in various chemical and biological applications.

Formula: C₁₈H₂₇NO₃

InChI: InChI=1S/C18H27NO3/c1-18(2,3)22-17(21)16-6-4-14(5-7-16)12-19-10-8-15(13-20)9-11-19/h4-7,15,20H,8-13H2,1-3H3

InChI key: InChIKey=QGOWPUGITGXQEJ-UHFFFAOYSA-N

SMILES: C(C1=CC=C(C(OC(C)(C)C)=O)C=C1)N2CCC(CO)CC2

Synonyms:

• Benzoic acid, 4-[[4-(hydroxymethyl)-1-piperidinyl]methyl]-, 1,1-dimethylethyl ester
• tert-Butyl 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
• 1,1-Dimethylethyl 4-[[4-(hydroxymethyl)-1-piperidinyl]methyl]benzoate

Tert-Butyl 4-((4-(Hydroxymethyl)Piperidin-1-Yl)Methyl)Benzoate

CAS: 1401966-70-8

Formula: C₁₈H₂₇NO₃

Purity: 95%

Molecular weight: 305.4119

Ref: IN-DA00HVRV

TERT-BUTYL 4-((4-(HYDROXYMETHYL)PIPERIDIN-1-YL)METHYL)BENZOATE

CAS: 1401966-70-8

Formula: C₁₈H₂₇NO₃

Purity: 90.0%

Molecular weight: 305.418

Ref: 10-F470590