1-ethyl-1-(2-propoxyethyl)piperazin-1-ium

C11H25N2O+ — CID 69236570

IUPAC1-ethyl-1-(2-propoxyethyl)piperazin-1-ium
SMILESCCCOCC[N+]1(CC)CCNCC1
InChIInChI=1S/C11H25N2O/c1-3-10-14-11-9-13(4-2)7-5-12-6-8-13/h12H,3-11H2,1-2H3/q+1
InChIKeyDYRZNVSWZZFPPW-UHFFFAOYSA-N
MW201.33 g/mol
LogP0.85
Rot. Bonds6

About 1-ethyl-1-(2-propoxyethyl)piperazin-1-ium

1-ethyl-1-(2-propoxyethyl)piperazin-1-ium (PubChem CID 69236570) has the molecular formula C11H25N2O+ and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-ethyl-1-(2-propoxyethyl)piperazin-1-ium.

Molecular Properties

Compound Name1-ethyl-1-(2-propoxyethyl)piperazin-1-ium
PubChem CID69236570
Molecular FormulaC11H25N2O+
Molecular Weight201.33 g/mol
Exact Mass201.20
IUPAC Name1-ethyl-1-(2-propoxyethyl)piperazin-1-ium
SMILESCCCOCC[N+]1(CC)CCNCC1
InChIInChI=1S/C11H25N2O/c1-3-10-14-11-9-13(4-2)7-5-12-6-8-13/h12H,3-11H2,1-2H3/q+1
InChIKeyDYRZNVSWZZFPPW-UHFFFAOYSA-N
XLogP0.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-propoxyethyl)piperazin-1-ium?
The IUPAC name of 1-ethyl-1-(2-propoxyethyl)piperazin-1-ium (CID 69236570) is 1-ethyl-1-(2-propoxyethyl)piperazin-1-ium.
What is the SMILES notation for 1-ethyl-1-(2-propoxyethyl)piperazin-1-ium?
The canonical SMILES for 1-ethyl-1-(2-propoxyethyl)piperazin-1-ium is CCCOCC[N+]1(CC)CCNCC1.
What is the InChIKey of 1-ethyl-1-(2-propoxyethyl)piperazin-1-ium?
The InChIKey is DYRZNVSWZZFPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2O/c1-3-10-14-11-9-13(4-2)7-5-12-6-8-13/h12H,3-11H2,1-2H3/q+1.
What are the key properties of 1-ethyl-1-(2-propoxyethyl)piperazin-1-ium?
1-ethyl-1-(2-propoxyethyl)piperazin-1-ium has a molecular weight of 201.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-propoxyethyl)piperazin-1-ium is sourced from PubChem (CID 69236570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).