770741-08-7
2-CHLORO-4-(1-PIPERIDIN-4-YLMETHYL-PIPERIDIN-4-YLOXY)BENZONITRILE
Name2-CHLORO-4-(1-PIPERIDIN-4-YLMETHYL-PIPERIDIN-4-YLOXY)BENZONITRILE
pro_formulaC18 H24 Cl N3 O
1Identification
【Name】
2-CHLORO-4-(1-PIPERIDIN-4-YLMETHYL-PIPERIDIN-4-YLOXY)BENZONITRILE
【CAS】
【MDL】
MFCD16659730
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H24 Cl N3 O
【pro_molWeight】
333.861
【Inchi】
InChI=1S/C18H24ClN3O/c19-18-11-17(2-1-15(18)12-20)23-16-5-9-22(10-6-16)13-14-3-7-21-8-4-14/h1-2,11,14,16,21H,3-10,13H2
【InChIKey】
InChIKey=RKPJCLNRJWZSLU-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1OC2CCN(CC2)CC3CCNCC3)Cl)C#N
【MOL File】
2-CHLORO-4-(1-PIPERI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-CHLORO-4-(1-PIPERIDIN-4-YLMETHYL-PIPERIDIN-4-YLOXY)BENZONITRILE.cml