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

C9H18N2O2 — CID 2760435

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
SMILESC1CN(CCC2OCCO2)CCN1
InChIInChI=1S/C9H18N2O2/c1(9-12-7-8-13-9)4-11-5-2-10-3-6-11/h9-10H,1-8H2
InChIKeyZRYJPBASNVAHTC-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.35
Rot. Bonds3

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

1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine (PubChem CID 2760435) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
PubChem CID2760435
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
SMILESC1CN(CCC2OCCO2)CCN1
InChIInChI=1S/C9H18N2O2/c1(9-12-7-8-13-9)4-11-5-2-10-3-6-11/h9-10H,1-8H2
InChIKeyZRYJPBASNVAHTC-UHFFFAOYSA-N
XLogP-0.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine (CID 2760435) is 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine is C1CN(CCC2OCCO2)CCN1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
The InChIKey is ZRYJPBASNVAHTC-UHFFFAOYSA-N. 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.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine has a molecular weight of 186.25 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]piperazine is sourced from PubChem (CID 2760435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).