General Information of the Compound
| Compound ID |
CP0040569
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H32N2O2
|
||||||||||||||||||
| Molecular Weight |
332.488
|
||||||||||||||||||
| Canonical SMILES |
OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H32N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8,19,23H,1-4,9-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZHWKCSDZSJHKE-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: PT01194, Histamine H3 receptor