General Information of the Compound
| Compound ID |
CP0509176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Phenyl-4-(3-trifluoromethoxy-benzyloxymethyl)-piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22F3NO2
|
||||||||||||||||||
| Molecular Weight |
365.395
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1cccc(COCC2(CCNCC2)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22F3NO2/c21-20(22,23)26-18-8-4-5-16(13-18)14-25-15-19(9-11-24-12-10-19)17-6-2-1-3-7-17/h1-8,13,24H,9-12,14-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QSUSVQBWSZZTNK-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound