2-[methoxy(2-methoxyethoxy)methyl]piperazine

C9H20N2O3 — CID 69193286

IUPAC2-[methoxy(2-methoxyethoxy)methyl]piperazine
SMILESCOCCOC(OC)C1CNCCN1
InChIInChI=1S/C9H20N2O3/c1-12-5-6-14-9(13-2)8-7-10-3-4-11-8/h8-11H,3-7H2,1-2H3
InChIKeyKEQLTBYIQKTZHQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.82
Rot. Bonds6

About 2-[methoxy(2-methoxyethoxy)methyl]piperazine

2-[methoxy(2-methoxyethoxy)methyl]piperazine (PubChem CID 69193286) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[methoxy(2-methoxyethoxy)methyl]piperazine.

Molecular Properties

Compound Name2-[methoxy(2-methoxyethoxy)methyl]piperazine
PubChem CID69193286
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-[methoxy(2-methoxyethoxy)methyl]piperazine
SMILESCOCCOC(OC)C1CNCCN1
InChIInChI=1S/C9H20N2O3/c1-12-5-6-14-9(13-2)8-7-10-3-4-11-8/h8-11H,3-7H2,1-2H3
InChIKeyKEQLTBYIQKTZHQ-UHFFFAOYSA-N
XLogP-0.82
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(2-methoxyethoxy)methyl]piperazine?
The IUPAC name of 2-[methoxy(2-methoxyethoxy)methyl]piperazine (CID 69193286) is 2-[methoxy(2-methoxyethoxy)methyl]piperazine.
What is the SMILES notation for 2-[methoxy(2-methoxyethoxy)methyl]piperazine?
The canonical SMILES for 2-[methoxy(2-methoxyethoxy)methyl]piperazine is COCCOC(OC)C1CNCCN1.
What is the InChIKey of 2-[methoxy(2-methoxyethoxy)methyl]piperazine?
The InChIKey is KEQLTBYIQKTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-12-5-6-14-9(13-2)8-7-10-3-4-11-8/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-[methoxy(2-methoxyethoxy)methyl]piperazine?
2-[methoxy(2-methoxyethoxy)methyl]piperazine has a molecular weight of 204.27 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(2-methoxyethoxy)methyl]piperazine is sourced from PubChem (CID 69193286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).