1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium

C9H19N2O2+ — CID 173437163

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium
SMILESC1C[NH+](CCC2OCCO2)CCN1
InChIInChI=1S/C9H18N2O2/c1(9-12-7-8-13-9)4-11-5-2-10-3-6-11/h9-10H,1-8H2/p+1
InChIKeyZRYJPBASNVAHTC-UHFFFAOYSA-O
MW187.26 g/mol
LogP-1.76
Rot. Bonds3

About 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium

1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium (PubChem CID 173437163) has the molecular formula C9H19N2O2+ and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium
PubChem CID173437163
Molecular FormulaC9H19N2O2+
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium
SMILESC1C[NH+](CCC2OCCO2)CCN1
InChIInChI=1S/C9H18N2O2/c1(9-12-7-8-13-9)4-11-5-2-10-3-6-11/h9-10H,1-8H2/p+1
InChIKeyZRYJPBASNVAHTC-UHFFFAOYSA-O
XLogP-1.76
TPSA34.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium (CID 173437163) is 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium is C1C[NH+](CCC2OCCO2)CCN1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium?
The InChIKey is ZRYJPBASNVAHTC-UHFFFAOYSA-O. 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+1.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium?
1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium has a molecular weight of 187.26 g/mol, XLogP of -1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-ium is sourced from PubChem (CID 173437163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).