444892-60-8
1-PIPERAZINECARBOXYLIC ACID, 4-[2-AMINO-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYL]-, 1,1-DIMETHYLETHYL ESTER
Name1-PIPERAZINECARBOXYLIC ACID, 4-[2-AMINO-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYL]-, 1,1-DIMETHYLETHYL ESTER
pro_formulaC18 H26 F3 N3 O2
1Identification
【Name】
1-PIPERAZINECARBOXYLIC ACID, 4-[2-AMINO-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD20485995
【EnglishSynonyms】
【pro_formula】
C18 H26 F3 N3 O2
【pro_molWeight】
373.416
【Inchi】
InChI=1S/C18H26F3N3O2/c1-17(2,3)26-16(25)24-9-7-23(8-10-24)15(12-22)13-5-4-6-14(11-13)18(19,20)21/h4-6,11,15H,7-10,12,22H2,1-3H3
【InChIKey】
InChIKey=TXYNRAXRBFWVPP-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)C(CN)c2cccc(c2)C(F)(F)F
【MOL File】
1-PIPERAZINECARBOXYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-PIPERAZINECARBOXYLIC ACID, 4-[2-AMINO-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYL]-, 1,1-DIMETHYLETHYL ESTER.cml