General Information of the Compound
Compound ID
CP0866898
Compound Name
(+/-)-1-(2-hydroxycyclohexyl)-4-phenyl-piperidin-4-ol
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Structure
Formula
C17H25NO2
Molecular Weight
275.392
Canonical SMILES
O[C@@H]1CCCC[C@H]1N1CCC(O)(c2ccccc2)CC1
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InChI
InChI=1S/C17H25NO2/c19-16-9-5-4-8-15(16)18-12-10-17(20,11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-16,19-20H,4-5,8-13H2/t15-,16-/m1/s1
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InChIKey
RQCILCXQDLFIJH-HZPDHXFCSA-N
Physicochemical Property
logP
2.2735
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
43.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 122181167
ChEMBL ID
CHEMBL3589862
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 = 1000 nM
   TI
   LI
   LO
   TS