1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium

C9H20N2O2+2 — CID 7016843

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium
SMILESC1C[NH+](CCC2OCCO2)CC[NH2+]1
InChIInChI=1S/C9H18N2O2/c1(9-12-7-8-13-9)4-11-5-2-10-3-6-11/h9-10H,1-8H2/p+2
InChIKeyZRYJPBASNVAHTC-UHFFFAOYSA-P
MW188.27 g/mol
LogP-2.79
Rot. Bonds3

About 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium

1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium (PubChem CID 7016843) has the molecular formula C9H20N2O2+2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium
PubChem CID7016843
Molecular FormulaC9H20N2O2+2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium
SMILESC1C[NH+](CCC2OCCO2)CC[NH2+]1
InChIInChI=1S/C9H18N2O2/c1(9-12-7-8-13-9)4-11-5-2-10-3-6-11/h9-10H,1-8H2/p+2
InChIKeyZRYJPBASNVAHTC-UHFFFAOYSA-P
XLogP-2.79
TPSA39.51 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-2.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium (CID 7016843) is 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium is C1C[NH+](CCC2OCCO2)CC[NH2+]1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium?
The InChIKey is ZRYJPBASNVAHTC-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H18N2O2/c1(9-12-7-8-13-9)4-11-5-2-10-3-6-11/h9-10H,1-8H2/p+2.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium?
1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium has a molecular weight of 188.27 g/mol, XLogP of -2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1,4-diium is sourced from PubChem (CID 7016843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).