General Information of the Compound
Compound ID
CP0866897
Compound Name
(+/-)-2-(4-benzyl-piperidin-1-yl)-cyclohexanol
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Structure
Formula
C18H27NO
Molecular Weight
273.42
Canonical SMILES
O[C@@H]1CCCC[C@H]1N1CCC(Cc2ccccc2)CC1
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InChI
InChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)19-12-10-16(11-13-19)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18-/m1/s1
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InChIKey
ZENDJZOIUGRXAX-QZTJIDSGSA-N
CAS
120446-83-5
Physicochemical Property
logP
3.2446
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 3078230
ChEMBL ID
CHEMBL3589865
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 = 647 nM
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