907985-64-2
1-PIPERIDINECARBOXYLIC ACID, 4-(5-HYDROXY-1H-PYRAZOL-3-YL)-, 1,1-DIMETHYLETHYL ESTER
Name1-PIPERIDINECARBOXYLIC ACID, 4-(5-HYDROXY-1H-PYRAZOL-3-YL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1-PIPERIDINECARBOXYLIC ACID, 4-(5-HYDROXY-1H-PYRAZOL-3-YL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD16987794
【English Synonyms】
【Formula】
C13 H21 N3 O3
【MolWeight】
267.327
【Inchi】
InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)16-6-4-9(5-7-16)10-8-11(17)15-14-10/h8-9H,4-7H2,1-3H3,(H2,14,15,17)
【InChIKey】
InChIKey=GDIWLPPICBFKJS-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(CC1)c2cc([nH]n2)O
【MOL File】
1-PIPERIDINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERIDINECARBOXYLIC ACID, 4-(5-HYDROXY-1H-PYRAZOL-3-YL)-, 1,1-DIMETHYLETHYL ESTER.cml