886774-09-0
3-(4-TRIFLUOROMETHOXY-BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name3-(4-TRIFLUOROMETHOXY-BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
3-(4-TRIFLUOROMETHOXY-BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD08686381
【English Synonyms】
【Formula】
C17 H23 F3 N2 O3
【MolWeight】
360.374
【Inchi】
InChI=1S/C17H23F3N2O3/c1-16(2,3)25-15(23)22-9-8-21-13(11-22)10-12-4-6-14(7-5-12)24-17(18,19)20/h4-7,13,21H,8-11H2,1-3H3
【InChIKey】
InChIKey=GVJAKRSIPWCYTJ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCNC(C1)Cc2ccc(cc2)OC(F)(F)F
【MOL File】
3-(4-TRIFLUOROMETHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-TRIFLUOROMETHOXY-BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml