General Information of the Compound
Compound ID
CP0568523
Compound Name
(1R,2R)-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-ol
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Structure
Formula
C16H30N2O
Molecular Weight
266.429
Canonical SMILES
O[C@@H]1CCCC[C@H]1N1CCC(CC1)N1CCCCC1
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InChI
InChI=1S/C16H30N2O/c19-16-7-3-2-6-15(16)18-12-8-14(9-13-18)17-10-4-1-5-11-17/h14-16,19H,1-13H2/t15-,16-/m1/s1
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InChIKey
YKKZNQFUGPKJAF-HZPDHXFCSA-N
Physicochemical Property
logP
2.2402
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
26.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 93632273
ChEMBL ID
CHEMBL3589867
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 = 5106 nM
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   LI
   LO
   TS