General Information of the Compound
Compound ID
CP0383414
Compound Name
4-phenyl-1-(1-phenylethyl)piperidin-4-ol
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Synonyms
4-phenyl-1-(1-phenylethyl)piperidin-4-ol
CHEMBL230249
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Structure
Formula
C19H23NO
Molecular Weight
281.399
Canonical SMILES
CC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C19H23NO/c1-16(17-8-4-2-5-9-17)20-14-12-19(21,13-15-20)18-10-6-3-7-11-18/h2-11,16,21H,12-15H2,1H3
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InChIKey
PKTJCXJTMHJHNK-UHFFFAOYSA-N
Physicochemical Property
logP
3.7312
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 9925737
SID: 14897609
ChEMBL ID
CHEMBL230249
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 = 33110 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 = 4149 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 = 6265 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 = 323 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-phenyl-1-(1-phenylethyl)piperidin-4-ol )
Drug Name 4-phenyl-1-(1-phenylethyl)piperidin-4-ol
Target(s)
Opioid receptor mu (MOP)
Inhibitor
Nociceptin receptor (OPRL1)
Inhibitor
Opioid receptor kappa (OPRK1)
Inhibitor