General Information of the Compound
Compound ID
CP0522135
Compound Name
1-(2-methoxyphenyl)-4-pentylpiperazine
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Synonyms
1-(2-methoxyphenyl)-4-pentylpiperazine
BDBM50329677
CHEMBL1269289
SCHEMBL13875119
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Structure
Formula
C16H26N2O
Molecular Weight
262.397
Canonical SMILES
CCCCCN1CCN(CC1)c1ccccc1OC
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InChI
InChI=1S/C16H26N2O/c1-3-4-7-10-17-11-13-18(14-12-17)15-8-5-6-9-16(15)19-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3
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InChIKey
KOQVTIBXMDYTOB-UHFFFAOYSA-N
Physicochemical Property
logP
3.0074
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
15.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 10422832
SID: 15441506
ChEMBL ID
CHEMBL1269289
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 5.16 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(2-methoxyphenyl)-4-pentylpiperazine )
Drug Name 1-(2-methoxyphenyl)-4-pentylpiperazine
Target(s)
5-HT 1A receptor (HTR1A)
Inhibitor