General Information of the Compound
Compound ID
CP0377397
Compound Name
4-phenyl-1-(1-phenylpropyl)piperidin-4-ol
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Synonyms
4-phenyl-1-(1-phenylpropyl)piperidin-4-ol
CHEMBL433814
SCHEMBL9520650
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Structure
Formula
C20H25NO
Molecular Weight
295.426
Canonical SMILES
CCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C20H25NO/c1-2-19(17-9-5-3-6-10-17)21-15-13-20(22,14-16-21)18-11-7-4-8-12-18/h3-12,19,22H,2,13-16H2,1H3
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InChIKey
YUOJNJIUXXIUHY-UHFFFAOYSA-N
Physicochemical Property
logP
4.1213
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 44426806
ChEMBL ID
CHEMBL433814
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: PT01200, Delta-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 20890 nM
   TI
   LI
   LO
   TS
Protein ID: PT00983, Kappa-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1427 nM
   TI
   LI
   LO
   TS
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2298 nM
   TI
   LI
   LO
   TS
Protein ID: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 135 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-phenyl-1-(1-phenylpropyl)piperidin-4-ol )
Drug Name 4-phenyl-1-(1-phenylpropyl)piperidin-4-ol
Target(s)
Opioid receptor kappa (OPRK1)
Inhibitor
Nociceptin receptor (OPRL1)
Inhibitor
Opioid receptor mu (MOP)
Inhibitor