2-methoxyethyl 4-methylpiperazine-1-carboxylate

C9H18N2O3 — CID 90327658

IUPAC2-methoxyethyl 4-methylpiperazine-1-carboxylate
SMILESCOCCOC(=O)N1CCN(C)CC1
InChIInChI=1S/C9H18N2O3/c1-10-3-5-11(6-4-10)9(12)14-8-7-13-2/h3-8H2,1-2H3
InChIKeyPPOKHAXYSFHWDD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.02
Rot. Bonds3

About 2-methoxyethyl 4-methylpiperazine-1-carboxylate

2-methoxyethyl 4-methylpiperazine-1-carboxylate (PubChem CID 90327658) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-methoxyethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-methylpiperazine-1-carboxylate
PubChem CID90327658
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-methoxyethyl 4-methylpiperazine-1-carboxylate
SMILESCOCCOC(=O)N1CCN(C)CC1
InChIInChI=1S/C9H18N2O3/c1-10-3-5-11(6-4-10)9(12)14-8-7-13-2/h3-8H2,1-2H3
InChIKeyPPOKHAXYSFHWDD-UHFFFAOYSA-N
XLogP0.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-methoxyethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 4-methylpiperazine-1-carboxylate (CID 90327658) is 2-methoxyethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-methylpiperazine-1-carboxylate is COCCOC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-methoxyethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is PPOKHAXYSFHWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10-3-5-11(6-4-10)9(12)14-8-7-13-2/h3-8H2,1-2H3.
What are the key properties of 2-methoxyethyl 4-methylpiperazine-1-carboxylate?
2-methoxyethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 90327658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).