868244-60-4
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-(1-PIPERAZINYL)-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-(1-PIPERAZINYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-(1-PIPERAZINYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183524
【English Synonyms】
【Formula】
C17 H25 N3 O2
【MolWeight】
303.404
【Inchi】
InChI=1S/C17H25N3O2/c1-17(2,3)22-16(21)20-9-6-13-12-14(4-5-15(13)20)19-10-7-18-8-11-19/h4-5,12,18H,6-11H2,1-3H3
【InChIKey】
InChIKey=CGNIPFBHWHMTGN-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2c1ccc(c2)N3CCNCC3
【MOL File】
1H-INDOLE-1-CARBOXYL….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
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-(1-PIPERAZINYL)-, 1,1-DIMETHYLETHYL ESTER.cml