1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine

C13H18N2O2 — CID 67780431

IUPAC1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine
SMILESCC1(N2CCNCC2)COc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-13(15-8-6-14-7-9-15)10-16-11-4-2-3-5-12(11)17-13/h2-5,14H,6-10H2,1H3
InChIKeyGMOFOEKKODNZBB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.08
Rot. Bonds1

About 1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine

1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine (PubChem CID 67780431) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine.

Molecular Properties

Compound Name1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine
PubChem CID67780431
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine
SMILESCC1(N2CCNCC2)COc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-13(15-8-6-14-7-9-15)10-16-11-4-2-3-5-12(11)17-13/h2-5,14H,6-10H2,1H3
InChIKeyGMOFOEKKODNZBB-UHFFFAOYSA-N
XLogP1.08
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine?
The IUPAC name of 1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine (CID 67780431) is 1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine.
What is the SMILES notation for 1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine?
The canonical SMILES for 1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine is CC1(N2CCNCC2)COc2ccccc2O1.
What is the InChIKey of 1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine?
The InChIKey is GMOFOEKKODNZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(15-8-6-14-7-9-15)10-16-11-4-2-3-5-12(11)17-13/h2-5,14H,6-10H2,1H3.
What are the key properties of 1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine?
1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine has a molecular weight of 234.30 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine is sourced from PubChem (CID 67780431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).