1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine

C26H35N5O4 — CID 53363199

IUPAC1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCCOCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1
InChIInChI=1S/C26H35N5O4/c1-4-34-16-15-31-19-22(27-28-31)20-35-25-10-9-21(17-26(25)33-3)18-29-11-13-30(14-12-29)23-7-5-6-8-24(23)32-2/h5-10,17,19H,4,11-16,18,20H2,1-3H3
InChIKeyYOQUNJDFYTYTTC-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.23
Rot. Bonds12

About 1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 53363199) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID53363199
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCCOCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1
InChIInChI=1S/C26H35N5O4/c1-4-34-16-15-31-19-22(27-28-31)20-35-25-10-9-21(17-26(25)33-3)18-29-11-13-30(14-12-29)23-7-5-6-8-24(23)32-2/h5-10,17,19H,4,11-16,18,20H2,1-3H3
InChIKeyYOQUNJDFYTYTTC-UHFFFAOYSA-N
XLogP3.23
TPSA74.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine (CID 53363199) is 1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine is CCOCCn1cc(COc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1.
What is the InChIKey of 1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is YOQUNJDFYTYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-4-34-16-15-31-19-22(27-28-31)20-35-25-10-9-21(17-26(25)33-3)18-29-11-13-30(14-12-29)23-7-5-6-8-24(23)32-2/h5-10,17,19H,4,11-16,18,20H2,1-3H3.
What are the key properties of 1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 481.60 g/mol, XLogP of 3.23, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 53363199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).