General Information of the Compound
Compound ID
CP0380064
Compound Name
4-(2-phenylphenoxy)piperidine
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Structure
Formula
C17H19NO
Molecular Weight
253.345
Canonical SMILES
C1CC(CCN1)Oc1ccccc1-c1ccccc1
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InChI
InChI=1S/C17H19NO/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)19-15-10-12-18-13-11-15/h1-9,15,18H,10-13H2
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InChIKey
YXPNJUFYBHASBC-UHFFFAOYSA-N
Physicochemical Property
logP
3.4844
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 17178058
ChEMBL ID
CHEMBL3922367
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 316.23 nM
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