CAS Registry Number 185132-51-8
Name:
1-​Piperidinecarboxylic acid, 4-​hydroxy-​4-​[2-​(trimethylsilyl)​ethynyl]​-​, 1,​1-​dimethylethyl ester
1-Piperidinecarboxylic acid, 4-hydroxy-4-[(trimethylsilyl)ethynyl]-, 1,1-dimethylethyl ester (9CI)
1,1-Dimethylethyl 4-hydroxy-4-[(trimethylsilyl)ethynyl]-1-piperidinecarboxylate

Chemical Formula: C11H19NO3Si
Exact Mass: 241.11
Molecular Weight: 241.36
m/z: 241.11 (100.0%), 242.12 (12.2%), 242.11 (5.4%), 243.11 (3.4%), 243.12 (1.9%)

InChI: InChI=1S/C29H34N6O4S/c1-16(2)18-7-9-19(10-8-18)30-28(38)33-14-5-6-22(33)27(37)34-15-13-21-24(34)17(3)26(36)35(21)29-31-20-11-12-23(39-4)32-25(20)40-29/h7-12,16-17,21-22,24H,5-6,13-15H2,1-4H3,(H,30,38)/t17-,21-,22-,24+/m0/s1
InChIKey: CHMFMINHSDVAEL-WLZNGNGHSA-N
Canonical SMILES : CC1C2C(CCN2C(=O)C3CCCN3C(=O)NC4=CC=C(C=C4)C(C)C)N(C1=O)C5=NC6=C(S5)N=C(C=C6)OC
Isomeric SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3C(=O)NC4=CC=C(C=C4)C(C)C)N(C1=O)C5=NC6=C(S5)N=C(C=C6)OC

Specification

98%

1. (1) van Niel, Monique B.; Journal of Medicinal Chemistry 1999, V42(12), P2087-2104 CAPLUS