949081-51-0
BENZYL 4-(4-ETHYL-4-HYDROXYPIPERIDIN-1-YL)-3,5-DIFLUOROPHENYLCARBAMATE
NameBENZYL 4-(4-ETHYL-4-HYDROXYPIPERIDIN-1-YL)-3,5-DIFLUOROPHENYLCARBAMATE
pro_formulaC21 H24 F2 N2 O3
1Identification
【Name】
BENZYL 4-(4-ETHYL-4-HYDROXYPIPERIDIN-1-YL)-3,5-DIFLUOROPHENYLCARBAMATE
【CAS】
【MDL】
MFCD14635599
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H24 F2 N2 O3
【pro_molWeight】
390.428
【Inchi】
InChI=1S/C21H24F2N2O3/c1-2-21(27)8-10-25(11-9-21)19-17(22)12-16(13-18(19)23)24-20(26)28-14-15-6-4-3-5-7-15/h3-7,12-13,27H,2,8-11,14H2,1H3,(H,24,26)
【InChIKey】
InChIKey=KMQCCVHCYMDWCJ-UHFFFAOYSA-N
【SMILES】
CCC1(CCN(CC1)c2c(cc(cc2F)NC(=O)OCc3ccccc3)F)O
【MOL File】
BENZYL 4-(4-ETHYL-4-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BENZYL 4-(4-ETHYL-4-HYDROXYPIPERIDIN-1-YL)-3,5-DIFLUOROPHENYLCARBAMATE.cml