General Information of the Compound
Compound ID
CP0545278
Compound Name
1,4-Dibenzyl-piperidine
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Structure
Formula
C19H23N
Molecular Weight
265.4
Canonical SMILES
C(C1CCN(Cc2ccccc2)CC1)c1ccccc1
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InChI
InChI=1S/C19H23N/c1-3-7-17(8-4-1)15-18-11-13-20(14-12-18)16-19-9-5-2-6-10-19/h1-10,18H,11-16H2
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InChIKey
USWWVZJEOYCMQL-UHFFFAOYSA-N
Physicochemical Property
logP
4.1413
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
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: 10934382
SID: 15986487
ChEMBL ID
CHEMBL124457
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: PT01070, C-C chemokine receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01215, C-C chemokine receptor type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 8300 nM
   TI
   LI
   LO
   TS