General Information of the Compound
Compound ID
CP0527084
Compound Name
3-(4-phenylpiperazin-1-yl)piperidin-4-ol
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Structure
Formula
C15H23N3O
Molecular Weight
261.369
Canonical SMILES
OC1CCNCC1N1CCN(CC1)c1ccccc1
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InChI
InChI=1S/C15H23N3O/c19-15-6-7-16-12-14(15)18-10-8-17(9-11-18)13-4-2-1-3-5-13/h1-5,14-16,19H,6-12H2
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InChIKey
XFSZVQLUQJUHJO-UHFFFAOYSA-N
Physicochemical Property
logP
0.5314
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
38.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 44410885
ChEMBL ID
CHEMBL207918
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: PT02273, Vesicular acetylcholine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000028 PC-12 Homo sapiens (Human)  1
1
IC50 > 100 nM
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