General Information of the Compound
Compound ID
CP0021188
Compound Name
N-methyl-2-(4-phenylmethoxypiperidin-1-yl)ethanamine
    Show/Hide
Structure
Formula
C15H24N2O
Molecular Weight
248.37
Canonical SMILES
CNCCN1CCC(CC1)OCc1ccccc1
    Show/Hide
InChI
InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
    Show/Hide
InChIKey
HBOJWAYLSJLULG-UHFFFAOYSA-N
Physicochemical Property
logP
1.887
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
24.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 53868701
ChEMBL ID
CHEMBL3961701
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
Ki = 87 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 87 nM
Protein ID: PT02533, Histone-arginine methyltransferase CARM1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000247 MT-4 Homo sapiens (Human)  1
1
IC50 = 34 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 32 nM
2 IC50 = 34 nM
3 Kd = 100 nM
Protein ID: PT02223, Protein arginine N-methyltransferase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 970 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 34 nM
2 IC50 = 43 nM
3 Kd = 87 nM