1322769-39-0
1-Piperazinecarboxylic acid, 4-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
Name1-Piperazinecarboxylic acid, 4-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
1Identification
【Name】
1-Piperazinecarboxylic acid, 4-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
【CAS】
【MDL】
【English Synonyms】
【Formula】
C17H25FN2O3
【MolWeight】
324.3904
【Inchi】
InChI=1S/C17H25FN2O3/c1-17(2,3)23-16(22)20-8-6-19(7-9-20)11-13-4-5-14(12-21)15(18)10-13/h4-5,10,21H,6-9,11-12H2,1-3H3
【InChIKey】
InChIKey=YROWHMMVDGDJEJ-UHFFFAOYSA-N
【SMILES】
FC=1C=C(C=CC1CO)CN1CCN(CC1)C(=O)OC(C)(C)C
【MOL File】
1-Piperazinecarboxyl….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
1-Piperazinecarboxylic acid, 4-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester.cml