916423-28-4
1,3-PIPERIDINEDICARBOXYLIC ACID, 4-(4-FLUOROPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER
Name1,3-PIPERIDINEDICARBOXYLIC ACID, 4-(4-FLUOROPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER
pro_formulaC17 H22 F N O4
1Identification
【Name】
1,3-PIPERIDINEDICARBOXYLIC ACID, 4-(4-FLUOROPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER
【CAS】
【MDL】
MFCD08751802
【EnglishSynonyms】
【pro_formula】
C17 H22 F N O4
【pro_molWeight】
323.362
【Inchi】
InChI=1S/C17H22FNO4/c1-17(2,3)23-16(22)19-9-8-13(14(10-19)15(20)21)11-4-6-12(18)7-5-11/h4-7,13-14H,8-10H2,1-3H3,(H,20,21)
【InChIKey】
InChIKey=GJOKRYFZGOEKMG-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)c2ccc(cc2)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-(4-FLUOROPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER.cml