2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole

C22H26ClN3O — CID 170868356

IUPAC2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCn1c(Oc2ccc(Cl)cc2)c(CCCN2CCNCC2)c2ccccc21
InChIInChI=1S/C22H26ClN3O/c1-25-21-7-3-2-5-19(21)20(6-4-14-26-15-12-24-13-16-26)22(25)27-18-10-8-17(23)9-11-18/h2-3,5,7-11,24H,4,6,12-16H2,1H3
InChIKeyJUBNGYXMJVFSQW-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.46
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole

2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole (PubChem CID 170868356) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole
PubChem CID170868356
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCn1c(Oc2ccc(Cl)cc2)c(CCCN2CCNCC2)c2ccccc21
InChIInChI=1S/C22H26ClN3O/c1-25-21-7-3-2-5-19(21)20(6-4-14-26-15-12-24-13-16-26)22(25)27-18-10-8-17(23)9-11-18/h2-3,5,7-11,24H,4,6,12-16H2,1H3
InChIKeyJUBNGYXMJVFSQW-UHFFFAOYSA-N
XLogP4.46
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
CID 170870910
1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 95426562
1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864366
4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
CID 170870926
1-[(2-fluorophenyl)methyl]-2-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868396
1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine
CID 139639269
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864109
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 95433584
1-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-2-piperazin-1-ylethane-1,2-dione
CID 21196057
1-[(2R)-2-(4-chlorophenoxy)propyl]piperazine
CID 96925921
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole?
The IUPAC name of 2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole (CID 170868356) is 2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole?
The canonical SMILES for 2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole is Cn1c(Oc2ccc(Cl)cc2)c(CCCN2CCNCC2)c2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole?
The InChIKey is JUBNGYXMJVFSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-25-21-7-3-2-5-19(21)20(6-4-14-26-15-12-24-13-16-26)22(25)27-18-10-8-17(23)9-11-18/h2-3,5,7-11,24H,4,6,12-16H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole?
2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole has a molecular weight of 383.92 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole is sourced from PubChem (CID 170868356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).