887585-32-2
1-PIPERAZINECARBOXYLIC ACID, 4-(1H-INDOL-7-YLMETHYL)-, 1,1-DIMETHYLETHYL ESTER
Name1-PIPERAZINECARBOXYLIC ACID, 4-(1H-INDOL-7-YLMETHYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1-PIPERAZINECARBOXYLIC ACID, 4-(1H-INDOL-7-YLMETHYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD06657255
【English Synonyms】
【Formula】
C18 H25 N3 O2
【MolWeight】
315.414
【Inchi】
InChI=1S/C18H25N3O2/c1-18(2,3)23-17(22)21-11-9-20(10-12-21)13-15-6-4-5-14-7-8-19-16(14)15/h4-8,19H,9-13H2,1-3H3
【InChIKey】
InChIKey=POKVXRMPEAQBSM-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)Cc2cccc3c2[nH]cc3
【MOL File】
1-PIPERAZINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINECARBOXYLIC ACID, 4-(1H-INDOL-7-YLMETHYL)-, 1,1-DIMETHYLETHYL ESTER.cml