1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane

C11H26N2O2 — CID 54383463

IUPAC1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane
SMILESCCOC(C)OC.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C5H12O2/c1-7-3-5-8(2)6-4-7;1-4-7-5(2)6-3/h3-6H2,1-2H3;5H,4H2,1-3H3
InChIKeyVBORIAUGCRTMLO-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.88
Rot. Bonds3

About 1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane

1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane (PubChem CID 54383463) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane
PubChem CID54383463
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane
SMILESCCOC(C)OC.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C5H12O2/c1-7-3-5-8(2)6-4-7;1-4-7-5(2)6-3/h3-6H2,1-2H3;5H,4H2,1-3H3
InChIKeyVBORIAUGCRTMLO-UHFFFAOYSA-N
XLogP0.88
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane?
The IUPAC name of 1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane (CID 54383463) is 1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane.
What is the SMILES notation for 1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane?
The canonical SMILES for 1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane is CCOC(C)OC.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane?
The InChIKey is VBORIAUGCRTMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C5H12O2/c1-7-3-5-8(2)6-4-7;1-4-7-5(2)6-3/h3-6H2,1-2H3;5H,4H2,1-3H3.
What are the key properties of 1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane?
1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane has a molecular weight of 218.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1-ethoxy-1-methoxyethane is sourced from PubChem (CID 54383463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).