General Information of the Compound
Compound ID
CP0397912
Compound Name
(2R,3R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
    Show/Hide
Structure
Formula
C20H30N2O
Molecular Weight
314.473
Canonical SMILES
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)N1CCCCC1
    Show/Hide
InChI
InChI=1S/C20H30N2O/c23-20-15-17-7-3-2-6-16(17)14-19(20)22-12-8-18(9-13-22)21-10-4-1-5-11-21/h2-3,6-7,18-20,23H,1,4-5,8-15H2/t19-,20-/m1/s1
    Show/Hide
InChIKey
KJWRHPGZBHCCCW-WOJBJXKFSA-N
Physicochemical Property
logP
2.465
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
26.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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
CID: 122181075
ChEMBL ID
CHEMBL3589730
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: PT05156, Vesicular acetylcholine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 112.3 nM
   TI
   LI
   LO
   TS