General Information of the Compound
Compound ID
CP0043049
Compound Name
1-(7-Methoxy-naphthalen-2-yl)-piperazine
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Synonyms
1-(7-Methoxy-naphthalen-2-yl)-piperazine
1-(7-methoxynaphthalen-2-yl)piperazine
1174207-86-3
BDBM50061300
CHEMBL129661
DA-15050
ZINC27313663
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Structure
Formula
C15H18N2O
Molecular Weight
242.322
Canonical SMILES
COc1ccc2ccc(cc2c1)N1CCNCC1
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InChI
InChI=1S/C15H18N2O/c1-18-15-5-3-12-2-4-14(10-13(12)11-15)17-8-6-16-7-9-17/h2-5,10-11,16H,6-9H2,1H3
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InChIKey
FRTFBUOBLXTGSL-UHFFFAOYSA-N
Physicochemical Property
logP
2.258
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
24.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 44351692
ChEMBL ID
CHEMBL129661
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 2.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 2 nM
   TI
   LI
   LO
   TS
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 0.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(7-Methoxy-naphthalen-2-yl)-piperazine )
Drug Name 1-(7-Methoxy-naphthalen-2-yl)-piperazine
Target(s)
5-HT 1A receptor (HTR1A)
Inhibitor
5-HT 1D receptor (HTR1D)
Inhibitor
5-HT 1B receptor (HTR1B)
Inhibitor