1-(1,4-benzodioxin-5-yl)piperazine

C12H14N2O2 — CID 10398473

IUPAC1-(1,4-benzodioxin-5-yl)piperazine
SMILESC1=COc2c(cccc2N2CCNCC2)O1
InChIInChI=1S/C12H14N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,8-9,13H,4-7H2
InChIKeyIJSAMIJTSZEIQR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.34
Rot. Bonds1

About 1-(1,4-benzodioxin-5-yl)piperazine

1-(1,4-benzodioxin-5-yl)piperazine (PubChem CID 10398473) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(1,4-benzodioxin-5-yl)piperazine.

Molecular Properties

Compound Name1-(1,4-benzodioxin-5-yl)piperazine
PubChem CID10398473
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(1,4-benzodioxin-5-yl)piperazine
SMILESC1=COc2c(cccc2N2CCNCC2)O1
InChIInChI=1S/C12H14N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,8-9,13H,4-7H2
InChIKeyIJSAMIJTSZEIQR-UHFFFAOYSA-N
XLogP1.34
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-benzodioxin-5-yl)piperazine?
The IUPAC name of 1-(1,4-benzodioxin-5-yl)piperazine (CID 10398473) is 1-(1,4-benzodioxin-5-yl)piperazine.
What is the SMILES notation for 1-(1,4-benzodioxin-5-yl)piperazine?
The canonical SMILES for 1-(1,4-benzodioxin-5-yl)piperazine is C1=COc2c(cccc2N2CCNCC2)O1.
What is the InChIKey of 1-(1,4-benzodioxin-5-yl)piperazine?
The InChIKey is IJSAMIJTSZEIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,8-9,13H,4-7H2.
What are the key properties of 1-(1,4-benzodioxin-5-yl)piperazine?
1-(1,4-benzodioxin-5-yl)piperazine has a molecular weight of 218.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-benzodioxin-5-yl)piperazine is sourced from PubChem (CID 10398473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).