1-(1,1-dimethoxyethyl)-4-methylpiperazine

C9H20N2O2 — CID 71404446

IUPAC1-(1,1-dimethoxyethyl)-4-methylpiperazine
SMILESCOC(C)(OC)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O2/c1-9(12-3,13-4)11-7-5-10(2)6-8-11/h5-8H2,1-4H3
InChIKeyQFQDETWHQZWQEX-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.20
Rot. Bonds3

About 1-(1,1-dimethoxyethyl)-4-methylpiperazine

1-(1,1-dimethoxyethyl)-4-methylpiperazine (PubChem CID 71404446) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(1,1-dimethoxyethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1,1-dimethoxyethyl)-4-methylpiperazine
PubChem CID71404446
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-(1,1-dimethoxyethyl)-4-methylpiperazine
SMILESCOC(C)(OC)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O2/c1-9(12-3,13-4)11-7-5-10(2)6-8-11/h5-8H2,1-4H3
InChIKeyQFQDETWHQZWQEX-UHFFFAOYSA-N
XLogP0.20
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.20
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-(1,1-dimethoxyethyl)-4-methylpiperazine?
The IUPAC name of 1-(1,1-dimethoxyethyl)-4-methylpiperazine (CID 71404446) is 1-(1,1-dimethoxyethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(1,1-dimethoxyethyl)-4-methylpiperazine?
The canonical SMILES for 1-(1,1-dimethoxyethyl)-4-methylpiperazine is COC(C)(OC)N1CCN(C)CC1.
What is the InChIKey of 1-(1,1-dimethoxyethyl)-4-methylpiperazine?
The InChIKey is QFQDETWHQZWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(12-3,13-4)11-7-5-10(2)6-8-11/h5-8H2,1-4H3.
What are the key properties of 1-(1,1-dimethoxyethyl)-4-methylpiperazine?
1-(1,1-dimethoxyethyl)-4-methylpiperazine has a molecular weight of 188.27 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxyethyl)-4-methylpiperazine is sourced from PubChem (CID 71404446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).