3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole

C21H25N3O — CID 3504099

IUPAC3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole
SMILESCCOc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H25N3O/c1-2-25-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-17-15-22-19-8-4-3-7-18(17)19/h3-10,15,22H,2,11-14,16H2,1H3
InChIKeyPFALMGBZVKYODL-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.89
Rot. Bonds5

About 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole

3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole (PubChem CID 3504099) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole
PubChem CID3504099
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole
SMILESCCOc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H25N3O/c1-2-25-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-17-15-22-19-8-4-3-7-18(17)19/h3-10,15,22H,2,11-14,16H2,1H3
InChIKeyPFALMGBZVKYODL-UHFFFAOYSA-N
XLogP3.89
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole (CID 3504099) is 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole is CCOc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole?
The InChIKey is PFALMGBZVKYODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-25-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-17-15-22-19-8-4-3-7-18(17)19/h3-10,15,22H,2,11-14,16H2,1H3.
What are the key properties of 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole?
3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole has a molecular weight of 335.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 3504099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).