1,4-dioxido-1,4-dipropylpiperazine-1,4-diium

C10H22N2O2 — CID 12930919

IUPAC1,4-dioxido-1,4-dipropylpiperazine-1,4-diium
SMILESCCC[N+]1([O-])CC[N+]([O-])(CCC)CC1
InChIInChI=1S/C10H22N2O2/c1-3-5-11(13)7-9-12(14,6-4-2)10-8-11/h3-10H2,1-2H3
InChIKeyJGYIRVXHRFLKHU-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.45
Rot. Bonds4

About 1,4-dioxido-1,4-dipropylpiperazine-1,4-diium

1,4-dioxido-1,4-dipropylpiperazine-1,4-diium (PubChem CID 12930919) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,4-dioxido-1,4-dipropylpiperazine-1,4-diium.

Molecular Properties

Compound Name1,4-dioxido-1,4-dipropylpiperazine-1,4-diium
PubChem CID12930919
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1,4-dioxido-1,4-dipropylpiperazine-1,4-diium
SMILESCCC[N+]1([O-])CC[N+]([O-])(CCC)CC1
InChIInChI=1S/C10H22N2O2/c1-3-5-11(13)7-9-12(14,6-4-2)10-8-11/h3-10H2,1-2H3
InChIKeyJGYIRVXHRFLKHU-UHFFFAOYSA-N
XLogP1.45
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.45
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-dioxido-1,4-dipropylpiperazine-1,4-diium?
The IUPAC name of 1,4-dioxido-1,4-dipropylpiperazine-1,4-diium (CID 12930919) is 1,4-dioxido-1,4-dipropylpiperazine-1,4-diium.
What is the SMILES notation for 1,4-dioxido-1,4-dipropylpiperazine-1,4-diium?
The canonical SMILES for 1,4-dioxido-1,4-dipropylpiperazine-1,4-diium is CCC[N+]1([O-])CC[N+]([O-])(CCC)CC1.
What is the InChIKey of 1,4-dioxido-1,4-dipropylpiperazine-1,4-diium?
The InChIKey is JGYIRVXHRFLKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-5-11(13)7-9-12(14,6-4-2)10-8-11/h3-10H2,1-2H3.
What are the key properties of 1,4-dioxido-1,4-dipropylpiperazine-1,4-diium?
1,4-dioxido-1,4-dipropylpiperazine-1,4-diium has a molecular weight of 202.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxido-1,4-dipropylpiperazine-1,4-diium is sourced from PubChem (CID 12930919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).