100088-38-8
P-METHOXYPHENYL 3-PIPERIDINOMETHYL-1,4-BENZODIOXAN-6-YL KETONE HYDROCHLORIDE
NameP-METHOXYPHENYL 3-PIPERIDINOMETHYL-1,4-BENZODIOXAN-6-YL KETONE HYDROCHLORIDE
FormulaC22 H25 N O4 . Cl H
1Identification
【Name】
P-METHOXYPHENYL 3-PIPERIDINOMETHYL-1,4-BENZODIOXAN-6-YL KETONE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01716431
【English Synonyms】
【Formula】
C22 H25 N O4 . Cl H
【MolWeight】
403.903
【Inchi】
InChI=1S/C22H25NO4.ClH/c1-25-18-8-5-16(6-9-18)22(24)17-7-10-20-21(13-17)27-19(15-26-20)14-23-11-3-2-4-12-23;/h5-10,13,19H,2-4,11-12,14-15H2,1H3;1H
【InChIKey】
InChIKey=KNNCNPUGDHWFJU-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)C(=O)c2ccc3c(c2)OC(CO3)CN4CCCCC4.Cl
【MOL File】
P-METHOXYPHENYL 3-PI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
P-METHOXYPHENYL 3-PIPERIDINOMETHYL-1,4-BENZODIOXAN-6-YL KETONE HYDROCHLORIDE.cml