1,1-bis(ethoxymethyl)piperazin-1-ium

C10H23N2O2+ — CID 69236774

IUPAC1,1-bis(ethoxymethyl)piperazin-1-ium
SMILESCCOC[N+]1(COCC)CCNCC1
InChIInChI=1S/C10H23N2O2/c1-3-13-9-12(10-14-4-2)7-5-11-6-8-12/h11H,3-10H2,1-2H3/q+1
InChIKeyCICPNXUYFYKCRB-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.39
Rot. Bonds6

About 1,1-bis(ethoxymethyl)piperazin-1-ium

1,1-bis(ethoxymethyl)piperazin-1-ium (PubChem CID 69236774) has the molecular formula C10H23N2O2+ and a molecular weight of 203.31 g/mol. Its IUPAC name is 1,1-bis(ethoxymethyl)piperazin-1-ium.

Molecular Properties

Compound Name1,1-bis(ethoxymethyl)piperazin-1-ium
PubChem CID69236774
Molecular FormulaC10H23N2O2+
Molecular Weight203.31 g/mol
Exact Mass203.18
IUPAC Name1,1-bis(ethoxymethyl)piperazin-1-ium
SMILESCCOC[N+]1(COCC)CCNCC1
InChIInChI=1S/C10H23N2O2/c1-3-13-9-12(10-14-4-2)7-5-11-6-8-12/h11H,3-10H2,1-2H3/q+1
InChIKeyCICPNXUYFYKCRB-UHFFFAOYSA-N
XLogP0.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethoxymethyl)-1-ethylpyrrolidin-1-ium chloride
CID 23116063
1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium
CID 23116079
1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate
CID 87289717
aziridine;propane
CID 160500673
1-(ethoxymethyl)-1-propylpyrrolidin-1-ium nitrite
CID 87528955
2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol
CID 22564637
1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium
CID 23116081
1-butyl-1-(ethoxymethyl)pyrrolidin-1-ium nitrate
CID 68646601
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
1-(ethoxymethyl)-1-propylpyrrolidin-1-ium;2,2,2-trifluoroacetate
CID 66838630

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethoxymethyl)piperazin-1-ium?
The IUPAC name of 1,1-bis(ethoxymethyl)piperazin-1-ium (CID 69236774) is 1,1-bis(ethoxymethyl)piperazin-1-ium.
What is the SMILES notation for 1,1-bis(ethoxymethyl)piperazin-1-ium?
The canonical SMILES for 1,1-bis(ethoxymethyl)piperazin-1-ium is CCOC[N+]1(COCC)CCNCC1.
What is the InChIKey of 1,1-bis(ethoxymethyl)piperazin-1-ium?
The InChIKey is CICPNXUYFYKCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2O2/c1-3-13-9-12(10-14-4-2)7-5-11-6-8-12/h11H,3-10H2,1-2H3/q+1.
What are the key properties of 1,1-bis(ethoxymethyl)piperazin-1-ium?
1,1-bis(ethoxymethyl)piperazin-1-ium has a molecular weight of 203.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethoxymethyl)piperazin-1-ium is sourced from PubChem (CID 69236774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).