1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol

C25H33N3O2 — CID 141453727

IUPAC1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
SMILESCCN1CCN(CCCCn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)CC1
InChIInChI=1S/C25H33N3O2/c1-3-26-14-16-27(17-15-26)12-4-5-13-28-24-11-10-22(30)18-23(24)19(2)25(28)20-6-8-21(29)9-7-20/h6-11,18,29-30H,3-5,12-17H2,1-2H3
InChIKeyZANPCTZJGQEJBK-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.45
Rot. Bonds7

About 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol

1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol (PubChem CID 141453727) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
PubChem CID141453727
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
SMILESCCN1CCN(CCCCn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)CC1
InChIInChI=1S/C25H33N3O2/c1-3-26-14-16-27(17-15-26)12-4-5-13-28-24-11-10-22(30)18-23(24)19(2)25(28)20-6-8-21(29)9-7-20/h6-11,18,29-30H,3-5,12-17H2,1-2H3
InChIKeyZANPCTZJGQEJBK-UHFFFAOYSA-N
XLogP4.45
TPSA51.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indol-5-ol
CID 15925647
2-(4-hydroxyphenyl)-3-methyl-1-(8-pyrrolidin-1-yloctyl)indol-5-ol
CID 15925649
1-ethyl-4-[4-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]butyl]piperazine-2,3-dione
CID 141451332
2-(4-hydroxyphenyl)-3-methyl-1-propylindol-5-ol
CID 13408392
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
CID 15925637
2,3-dihydroisoindol-1-one;2-(4-hydroxyphenyl)-3-methyl-1-pentylindol-5-ol
CID 23041892
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole
CID 54515191
3-methyl-2-(4-phenylmethoxyphenyl)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
CID 20747240
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol;propanedioic acid
CID 25207257
3-methyl-2-(4-phenylselanylphenyl)-1-[6-(propan-2-ylamino)hexyl]indol-5-ol
CID 18984812
4-[(2-acetamidoethylamino)methyl]-N-[4-[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]butyl]benzamide
CID 44581637
[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl] hypoiodite
CID 166660979

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol (CID 141453727) is 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol is CCN1CCN(CCCCn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol?
The InChIKey is ZANPCTZJGQEJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-26-14-16-27(17-15-26)12-4-5-13-28-24-11-10-22(30)18-23(24)19(2)25(28)20-6-8-21(29)9-7-20/h6-11,18,29-30H,3-5,12-17H2,1-2H3.
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol?
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol has a molecular weight of 407.56 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol is sourced from PubChem (CID 141453727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).