1-(2-ethoxyethyl)-4-methylpiperazine

C9H20N2O — CID 22928260

IUPAC1-(2-ethoxyethyl)-4-methylpiperazine
SMILESCCOCCN1CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-3-12-9-8-11-6-4-10(2)5-7-11/h3-9H2,1-2H3
InChIKeyZHWWFCIIZYMJLZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.27
Rot. Bonds4

About 1-(2-ethoxyethyl)-4-methylpiperazine

1-(2-ethoxyethyl)-4-methylpiperazine (PubChem CID 22928260) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-methylpiperazine
PubChem CID22928260
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(2-ethoxyethyl)-4-methylpiperazine
SMILESCCOCCN1CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-3-12-9-8-11-6-4-10(2)5-7-11/h3-9H2,1-2H3
InChIKeyZHWWFCIIZYMJLZ-UHFFFAOYSA-N
XLogP0.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.27
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-(2-ethoxyethyl)-4-methylpiperazine?
The IUPAC name of 1-(2-ethoxyethyl)-4-methylpiperazine (CID 22928260) is 1-(2-ethoxyethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-ethoxyethyl)-4-methylpiperazine is CCOCCN1CCN(C)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-methylpiperazine?
The InChIKey is ZHWWFCIIZYMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-12-9-8-11-6-4-10(2)5-7-11/h3-9H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-4-methylpiperazine?
1-(2-ethoxyethyl)-4-methylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-methylpiperazine is sourced from PubChem (CID 22928260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).