General Information of the Compound
Compound ID
CP0282475
Compound Name
3-(N-propylpiperidin-4-yl)phenol
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Synonyms
3-(N-propylpiperidin-4-yl)phenol
BDBM50308024
CHEMBL592618
HPUYFCNUROWQBG-UHFFFAOYSA-N
SCHEMBL3454031
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Structure
Formula
C14H21NO
Molecular Weight
219.328
Canonical SMILES
CCCN1CCC(CC1)c1cccc(O)c1
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InChI
InChI=1S/C14H21NO/c1-2-8-15-9-6-12(7-10-15)13-4-3-5-14(16)11-13/h3-5,11-12,16H,2,6-10H2,1H3
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InChIKey
HPUYFCNUROWQBG-UHFFFAOYSA-N
Physicochemical Property
logP
2.9816
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 12988959
SID: 93371814
ChEMBL ID
CHEMBL592618
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 349 nM
   TI
   LI
   LO
   TS
2
Ki = 2570 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(N-propylpiperidin-4-yl)phenol )
Drug Name 3-(N-propylpiperidin-4-yl)phenol
Target(s)
Dopamine D2 receptor (D2R)
Inhibitor