General Information of the Compound
Compound ID
CP0377391
Compound Name
1-(4-methyl-1-phenylpentyl)-4-phenylpiperidin-4-ol
    Show/Hide
Structure
Formula
C23H31NO
Molecular Weight
337.507
Canonical SMILES
CC(C)CCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C23H31NO/c1-19(2)13-14-22(20-9-5-3-6-10-20)24-17-15-23(25,16-18-24)21-11-7-4-8-12-21/h3-12,19,22,25H,13-18H2,1-2H3
    Show/Hide
InChIKey
KNZCONNAMIYGMW-UHFFFAOYSA-N
Physicochemical Property
logP
5.1475
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 44426811
ChEMBL ID
CHEMBL413791
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: PT01200, Delta-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 348 nM
   TI
   LI
   LO
   TS
Protein ID: PT00983, Kappa-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 185 nM
   TI
   LI
   LO
   TS
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 125 nM
   TI
   LI
   LO
   TS
Protein ID: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 9 nM
   TI
   LI
   LO
   TS