CAS Registry Number: 68453-37-2

Name:

Benzoic acid, 4-​(1-​piperidinylmethyl)​-​, methyl ester
4-​(Piperidinomethyl)​benzoic acid methyl ester 

Chemical Formula: C14H19NO2
Exact Mass: 233.14
Molecular Weight: 233.31
m/z: 233.14 (100.0%), 234.14 (15.5%), 235.15 (1.5%)
Elemental Analysis: C, 72.07; H, 8.21; N, 6.00; O, 13.72

InChI: InChI=1S/C14H19NO2/c1-17-14(16)13-7-5-12(6-8-13)11-15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKey: VSUPXUIIYYFQDG-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=C(C=C1)CN2CCCCC2

Specification

98%

1. (1) Molander, Gary A.; Organic Letters 2007, V9(8), P1597-1600 CAPLUS
2. (2) Das, Shoubhik; Journal of the American Chemical Society 2010, V132(6), P1770-1771 CAPLUS
3. (3) Sheng, Rong; European Journal of Medicinal Chemistry 2009, V44(1), P7-17 CAPLUS
4. (4) Shey, Jing-Ying; Tetrahedron Letters 2002, V43(9), P1725-1729 CAPLUS