1-(4-ethoxybutyl)-4-methylpiperazine

C11H24N2O — CID 70856685

IUPAC1-(4-ethoxybutyl)-4-methylpiperazine
SMILESCCOCCCCN1CCN(C)CC1
InChIInChI=1S/C11H24N2O/c1-3-14-11-5-4-6-13-9-7-12(2)8-10-13/h3-11H2,1-2H3
InChIKeyIDENVNDUUKCOLC-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.05
Rot. Bonds6

About 1-(4-ethoxybutyl)-4-methylpiperazine

1-(4-ethoxybutyl)-4-methylpiperazine (PubChem CID 70856685) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(4-ethoxybutyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-ethoxybutyl)-4-methylpiperazine
PubChem CID70856685
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(4-ethoxybutyl)-4-methylpiperazine
SMILESCCOCCCCN1CCN(C)CC1
InChIInChI=1S/C11H24N2O/c1-3-14-11-5-4-6-13-9-7-12(2)8-10-13/h3-11H2,1-2H3
InChIKeyIDENVNDUUKCOLC-UHFFFAOYSA-N
XLogP1.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethoxybutyl)-4-methylpiperazine?
The IUPAC name of 1-(4-ethoxybutyl)-4-methylpiperazine (CID 70856685) is 1-(4-ethoxybutyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-ethoxybutyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-ethoxybutyl)-4-methylpiperazine is CCOCCCCN1CCN(C)CC1.
What is the InChIKey of 1-(4-ethoxybutyl)-4-methylpiperazine?
The InChIKey is IDENVNDUUKCOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-14-11-5-4-6-13-9-7-12(2)8-10-13/h3-11H2,1-2H3.
What are the key properties of 1-(4-ethoxybutyl)-4-methylpiperazine?
1-(4-ethoxybutyl)-4-methylpiperazine has a molecular weight of 200.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutyl)-4-methylpiperazine is sourced from PubChem (CID 70856685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).