916423-39-7
1,3-PIPERIDINEDICARBOXYLIC ACID, 4-(3,5-DIFLUOROPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER
Name1,3-PIPERIDINEDICARBOXYLIC ACID, 4-(3,5-DIFLUOROPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER
pro_formulaC17 H21 F2 N O4
1Identification
【Name】
1,3-PIPERIDINEDICARBOXYLIC ACID, 4-(3,5-DIFLUOROPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER
【CAS】
【MDL】
MFCD08751814
【EnglishSynonyms】
【pro_formula】
C17 H21 F2 N O4
【pro_molWeight】
341.352
【Inchi】
InChI=1S/C17H21F2NO4/c1-17(2,3)24-16(23)20-5-4-13(14(9-20)15(21)22)10-6-11(18)8-12(19)7-10/h6-8,13-14H,4-5,9H2,1-3H3,(H,21,22)
【InChIKey】
InChIKey=SLNGXMNOCHUVCB-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)c2cc(cc(c2)F)F
【MOL File】
1,3-PIPERIDINEDICARB….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
1,3-PIPERIDINEDICARBOXYLIC ACID, 4-(3,5-DIFLUOROPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER.cml