CAS Registry Number: 947272-49-3

Name:

1-​Piperazinecarboxylic acid, 3-​(phenylmethyl)​-​, 1,​1-​dimethylethyl ester, (3R)​-
(R)​-​tert-​Butyl 3-​benzylpiperazine-​1-​carboxylate; tert-​Butyl (3R)​-​3-​(phenylmethyl)​piperazine-​1-​carboxylate; tert-​Butyl (3R)​-​3-​benzylpiperazine-​1-​carboxylate 

Chemical Formula: C16H24N2O2
Exact Mass: 276.18
Molecular Weight: 276.37
m/z: 276.18 (100.0%), 277.19 (17.7%), 278.19 (1.9%)

InChI: InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-14(12-18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m1/s1
InChIKey: YFIAVMMGSRDLLG-CQSZACIVSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCNC(C1)CC2=CC=CC=C2
Isomeric SMILES: CC(C)(C)OC(=O)N1CCN[C@@H](C1)CC2=CC=CC=C2

Specification

98%

PCT Int. Appl. (2014), WO 2014052699 A1 20140403.

PCT Int. Appl. (2008), WO 2009001915 A1 20081231.