1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine

C17H28N2O — CID 64930171

IUPAC1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCOc1ccc(N2CC(C)(CC)NCC2CC)cc1
InChIInChI=1S/C17H28N2O/c1-5-14-12-18-17(4,6-2)13-19(14)15-8-10-16(11-9-15)20-7-3/h8-11,14,18H,5-7,12-13H2,1-4H3
InChIKeyAQGDHXOQWGPPTL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine

1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine (PubChem CID 64930171) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine
PubChem CID64930171
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCOc1ccc(N2CC(C)(CC)NCC2CC)cc1
InChIInChI=1S/C17H28N2O/c1-5-14-12-18-17(4,6-2)13-19(14)15-8-10-16(11-9-15)20-7-3/h8-11,14,18H,5-7,12-13H2,1-4H3
InChIKeyAQGDHXOQWGPPTL-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine?
The IUPAC name of 1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine (CID 64930171) is 1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine is CCOc1ccc(N2CC(C)(CC)NCC2CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine?
The InChIKey is AQGDHXOQWGPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-14-12-18-17(4,6-2)13-19(14)15-8-10-16(11-9-15)20-7-3/h8-11,14,18H,5-7,12-13H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine?
1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine is sourced from PubChem (CID 64930171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).