General Information of the Compound
| Compound ID |
CP0396974
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24N2O
|
||||||||||||||||||
| Molecular Weight |
296.414
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(OC(C2CCNCC2)c2cccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24N2O/c1-2-15-5-7-18(8-6-15)22-19(16-9-12-20-13-10-16)17-4-3-11-21-14-17/h3-8,11,14,16,19-20H,2,9-10,12-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHSQRSCEVZFFIU-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter