4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole

C23H29N3O2 — CID 10110269

IUPAC4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
SMILESCOc1ccccc1OCCCCN1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C23H29N3O2/c1-27-22-9-2-3-10-23(22)28-18-5-4-13-25-14-16-26(17-15-25)21-8-6-7-20-19(21)11-12-24-20/h2-3,6-12,24H,4-5,13-18H2,1H3
InChIKeyLUJVJCPIYINSKI-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.16
Rot. Bonds8

About 4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole

4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole (PubChem CID 10110269) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
PubChem CID10110269
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
SMILESCOc1ccccc1OCCCCN1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C23H29N3O2/c1-27-22-9-2-3-10-23(22)28-18-5-4-13-25-14-16-26(17-15-25)21-8-6-7-20-19(21)11-12-24-20/h2-3,6-12,24H,4-5,13-18H2,1H3
InChIKeyLUJVJCPIYINSKI-UHFFFAOYSA-N
XLogP4.16
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 172837364
4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10156458
3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 10109963
4-[4-[4-(2,6-dimethylphenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10200617
4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091638
4-[4-[4-(3-chlorophenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10111569
4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091655
N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 19694155
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-[4-[3-(1H-indol-6-yl)propyl]piperazin-1-yl]-6-methoxybenzonitrile
CID 91233953
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole (CID 10110269) is 4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole is COc1ccccc1OCCCCN1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of 4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole?
The InChIKey is LUJVJCPIYINSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-27-22-9-2-3-10-23(22)28-18-5-4-13-25-14-16-26(17-15-25)21-8-6-7-20-19(21)11-12-24-20/h2-3,6-12,24H,4-5,13-18H2,1H3.
What are the key properties of 4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole?
4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole has a molecular weight of 379.50 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 10110269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).