1018297-04-5
1-PIPERAZINECARBOXYLIC ACID, 4-[2-AMINO-1-(4-FLUOROPHENYL)ETHYL]-, 1,1-DIMETHYLETHYL ESTER
Name1-PIPERAZINECARBOXYLIC ACID, 4-[2-AMINO-1-(4-FLUOROPHENYL)ETHYL]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1-PIPERAZINECARBOXYLIC ACID, 4-[2-AMINO-1-(4-FLUOROPHENYL)ETHYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD10015088
【English Synonyms】
【Formula】
C17 H26 F N3 O2
【MolWeight】
323.409
【Inchi】
InChI=1S/C17H26FN3O2/c1-17(2,3)23-16(22)21-10-8-20(9-11-21)15(12-19)13-4-6-14(18)7-5-13/h4-7,15H,8-12,19H2,1-3H3
【InChIKey】
InChIKey=RMXUHKONZAXAQJ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)C(CN)c2ccc(cc2)F
【MOL File】
1-PIPERAZINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINECARBOXYLIC ACID, 4-[2-AMINO-1-(4-FLUOROPHENYL)ETHYL]-, 1,1-DIMETHYLETHYL ESTER.cml