General Information of the Compound
Compound ID
CP0891679
Compound Name
(+/-)-2-(4,4-diphenylpiperidin-1-yl)cyclohexanol
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Structure
Formula
C23H29NO
Molecular Weight
335.491
Canonical SMILES
O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)(c2ccccc2)CC1
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InChI
InChI=1S/C23H29NO/c25-22-14-8-7-13-21(22)24-17-15-23(16-18-24,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22,25H,7-8,13-18H2/t21-,22-/m1/s1
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InChIKey
FTZBYQIFOKIEAG-FGZHOGPDSA-N
Physicochemical Property
logP
4.372
Rotatable Bonds
3
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).

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PubChem ID
CID: 122181169
ChEMBL ID
CHEMBL3589864
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 = 6708 nM
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