1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium

C11H25N2O2+ — CID 69236771

IUPAC1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium
SMILESCOC(C)N1CC[N+](C)(C(C)OC)CC1
InChIInChI=1S/C11H25N2O2/c1-10(14-4)12-6-8-13(3,9-7-12)11(2)15-5/h10-11H,6-9H2,1-5H3/q+1
InChIKeyHIWQPFQERHUUDX-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.73
Rot. Bonds4

About 1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium

1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium (PubChem CID 69236771) has the molecular formula C11H25N2O2+ and a molecular weight of 217.33 g/mol. Its IUPAC name is 1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium.

Molecular Properties

Compound Name1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium
PubChem CID69236771
Molecular FormulaC11H25N2O2+
Molecular Weight217.33 g/mol
Exact Mass217.19
IUPAC Name1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium
SMILESCOC(C)N1CC[N+](C)(C(C)OC)CC1
InChIInChI=1S/C11H25N2O2/c1-10(14-4)12-6-8-13(3,9-7-12)11(2)15-5/h10-11H,6-9H2,1-5H3/q+1
InChIKeyHIWQPFQERHUUDX-UHFFFAOYSA-N
XLogP0.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium?
The IUPAC name of 1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium (CID 69236771) is 1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium.
What is the SMILES notation for 1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium?
The canonical SMILES for 1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium is COC(C)N1CC[N+](C)(C(C)OC)CC1.
What is the InChIKey of 1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium?
The InChIKey is HIWQPFQERHUUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2O2/c1-10(14-4)12-6-8-13(3,9-7-12)11(2)15-5/h10-11H,6-9H2,1-5H3/q+1.
What are the key properties of 1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium?
1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium has a molecular weight of 217.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1-methoxyethyl)-1-methylpiperazin-1-ium is sourced from PubChem (CID 69236771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).