1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium

C10H24N2O2+2 — CID 69235185

IUPAC1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium
SMILESCOC[N+]1(C)CC[N+](C)(COC)CC1
InChIInChI=1S/C10H24N2O2/c1-11(9-13-3)5-7-12(2,8-6-11)10-14-4/h5-10H2,1-4H3/q+2
InChIKeyNJIIJJPPAARIND-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.10
Rot. Bonds4

About 1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium

1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium (PubChem CID 69235185) has the molecular formula C10H24N2O2+2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium.

Molecular Properties

Compound Name1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium
PubChem CID69235185
Molecular FormulaC10H24N2O2+2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium
SMILESCOC[N+]1(C)CC[N+](C)(COC)CC1
InChIInChI=1S/C10H24N2O2/c1-11(9-13-3)5-7-12(2,8-6-11)10-14-4/h5-10H2,1-4H3/q+2
InChIKeyNJIIJJPPAARIND-UHFFFAOYSA-N
XLogP0.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium?
The IUPAC name of 1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium (CID 69235185) is 1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium.
What is the SMILES notation for 1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium?
The canonical SMILES for 1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium is COC[N+]1(C)CC[N+](C)(COC)CC1.
What is the InChIKey of 1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium?
The InChIKey is NJIIJJPPAARIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-11(9-13-3)5-7-12(2,8-6-11)10-14-4/h5-10H2,1-4H3/q+2.
What are the key properties of 1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium?
1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium has a molecular weight of 204.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methoxymethyl)-1,4-dimethylpiperazine-1,4-diium is sourced from PubChem (CID 69235185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).