401895-68-9
4-(3-(PIPERIDIN-1-YL)PROPOXY)PHENYLBORONIC ACID, PINACOL ESTER
Name4-(3-(PIPERIDIN-1-YL)PROPOXY)PHENYLBORONIC ACID, PINACOL ESTER
pro_formulaC20 H32 B N O3
1Identification
【Name】
4-(3-(PIPERIDIN-1-YL)PROPOXY)PHENYLBORONIC ACID, PINACOL ESTER
【CAS】
【MDL】
MFCD09475821
【EnglishSynonyms】
【pro_formula】
C20 H32 B N O3
【pro_molWeight】
345.288
【Inchi】
InChI=1S/C20H32BNO3/c1-19(2)20(3,4)25-21(24-19)17-9-11-18(12-10-17)23-16-8-15-22-13-6-5-7-14-22/h9-12H,5-8,13-16H2,1-4H3
【InChIKey】
InChIKey=HAAFQCQAHKMHJF-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)OCCCN3CCCCC3
【MOL File】
4-(3-(PIPERIDIN-1-YL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(3-(PIPERIDIN-1-YL)PROPOXY)PHENYLBORONIC ACID, PINACOL ESTER.cml