170284-71-6
1,4-PIPERIDINEDICARBOXYLIC ACID, 4-[(4-CHLOROPHENYL)METHYL]-, 1-(1,1-DIMETHYLETHYL) ESTER
Name1,4-PIPERIDINEDICARBOXYLIC ACID, 4-[(4-CHLOROPHENYL)METHYL]-, 1-(1,1-DIMETHYLETHYL) ESTER
1Identification
【Name】
1,4-PIPERIDINEDICARBOXYLIC ACID, 4-[(4-CHLOROPHENYL)METHYL]-, 1-(1,1-DIMETHYLETHYL) ESTER
【CAS】
【MDL】
MFCD08461314
【English Synonyms】
【Formula】
C18 H24 Cl N O4
【MolWeight】
353.844
【Inchi】
InChI=1S/C18H24ClNO4/c1-17(2,3)24-16(23)20-10-8-18(9-11-20,15(21)22)12-13-4-6-14(19)7-5-13/h4-7H,8-12H2,1-3H3,(H,21,22)
【InChIKey】
InChIKey=MRYZLPQGWRXSTE-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccc(cc2)Cl)C(=O)O
【MOL File】
1,4-PIPERIDINEDICARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-PIPERIDINEDICARBOXYLIC ACID, 4-[(4-CHLOROPHENYL)METHYL]-, 1-(1,1-DIMETHYLETHYL) ESTER.cml