2,3-dihydro-1,4-benzodioxine;piperazine

C12H18N2O2 — CID 68694467

IUPAC2,3-dihydro-1,4-benzodioxine;piperazine
SMILESC1CNCCN1.c1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O2.C4H10N2/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-4-3-5-1/h1-4H,5-6H2;5-6H,1-4H2
InChIKeyPJWGPYWLQZLALY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.64
Rot. Bonds

About 2,3-dihydro-1,4-benzodioxine;piperazine

2,3-dihydro-1,4-benzodioxine;piperazine (PubChem CID 68694467) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine;piperazine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxine;piperazine
PubChem CID68694467
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2,3-dihydro-1,4-benzodioxine;piperazine
SMILESC1CNCCN1.c1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O2.C4H10N2/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-4-3-5-1/h1-4H,5-6H2;5-6H,1-4H2
InChIKeyPJWGPYWLQZLALY-UHFFFAOYSA-N
XLogP0.64
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxine;piperazine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxine;piperazine (CID 68694467) is 2,3-dihydro-1,4-benzodioxine;piperazine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine;piperazine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxine;piperazine is C1CNCCN1.c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxine;piperazine?
The InChIKey is PJWGPYWLQZLALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C4H10N2/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-4-3-5-1/h1-4H,5-6H2;5-6H,1-4H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxine;piperazine?
2,3-dihydro-1,4-benzodioxine;piperazine has a molecular weight of 222.29 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxine;piperazine is sourced from PubChem (CID 68694467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).