General Information of the Compound
Compound ID
CP0480043
Compound Name
3,4,5-trimethyl-2,6-diphenylpiperidin-4-ol
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Structure
Formula
C20H25NO
Molecular Weight
295.426
Canonical SMILES
CC1C(NC(C(C)C1(C)O)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C20H25NO/c1-14-18(16-10-6-4-7-11-16)21-19(15(2)20(14,3)22)17-12-8-5-9-13-17/h4-15,18-19,21-22H,1-3H3
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InChIKey
PPULLACTYCCYOK-UHFFFAOYSA-N
Physicochemical Property
logP
4.0954
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
32.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"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).

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PubChem ID
CID: 3142092
ChEMBL ID
CHEMBL2147676
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3981.07 nM
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   LI
   LO
   TS