1-(1,4-dioxin-2-yl)piperazine

C8H12N2O2 — CID 54291974

IUPAC1-(1,4-dioxin-2-yl)piperazine
SMILESC1=COC(N2CCNCC2)=CO1
InChIInChI=1S/C8H12N2O2/c1-3-10(4-2-9-1)8-7-11-5-6-12-8/h5-7,9H,1-4H2
InChIKeyRYDJFCVVXKMDJB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.21
Rot. Bonds1

About 1-(1,4-dioxin-2-yl)piperazine

1-(1,4-dioxin-2-yl)piperazine (PubChem CID 54291974) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(1,4-dioxin-2-yl)piperazine.

Molecular Properties

Compound Name1-(1,4-dioxin-2-yl)piperazine
PubChem CID54291974
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(1,4-dioxin-2-yl)piperazine
SMILESC1=COC(N2CCNCC2)=CO1
InChIInChI=1S/C8H12N2O2/c1-3-10(4-2-9-1)8-7-11-5-6-12-8/h5-7,9H,1-4H2
InChIKeyRYDJFCVVXKMDJB-UHFFFAOYSA-N
XLogP0.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxin-2-yl)piperazine?
The IUPAC name of 1-(1,4-dioxin-2-yl)piperazine (CID 54291974) is 1-(1,4-dioxin-2-yl)piperazine.
What is the SMILES notation for 1-(1,4-dioxin-2-yl)piperazine?
The canonical SMILES for 1-(1,4-dioxin-2-yl)piperazine is C1=COC(N2CCNCC2)=CO1.
What is the InChIKey of 1-(1,4-dioxin-2-yl)piperazine?
The InChIKey is RYDJFCVVXKMDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-10(4-2-9-1)8-7-11-5-6-12-8/h5-7,9H,1-4H2.
What are the key properties of 1-(1,4-dioxin-2-yl)piperazine?
1-(1,4-dioxin-2-yl)piperazine has a molecular weight of 168.20 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxin-2-yl)piperazine is sourced from PubChem (CID 54291974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).