201809-20-3
4-(5-ETHOXYCARBONYL-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name4-(5-ETHOXYCARBONYL-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
4-(5-ETHOXYCARBONYL-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD06795923
【English Synonyms】
【Formula】
C17 H25 N3 O4
【MolWeight】
335.401
【Inchi】
InChI=1S/C17H25N3O4/c1-5-23-15(21)13-6-7-14(18-12-13)19-8-10-20(11-9-19)16(22)24-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3
【InChIKey】
InChIKey=AYCWMHWDFCCHLE-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1ccc(nc1)N2CCN(CC2)C(=O)OC(C)(C)C
【MOL File】
4-(5-ETHOXYCARBONYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(5-ETHOXYCARBONYL-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml