1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine

C13H18N2O2 — CID 14960330

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine
SMILESCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C13H18N2O2/c1-14-5-7-15(8-6-14)11-3-2-4-12-13(11)17-10-9-16-12/h2-4H,5-10H2,1H3
InChIKeyRIHSPMCETPPJAN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.21
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine (PubChem CID 14960330) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine
PubChem CID14960330
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine
SMILESCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C13H18N2O2/c1-14-5-7-15(8-6-14)11-3-2-4-12-13(11)17-10-9-16-12/h2-4H,5-10H2,1H3
InChIKeyRIHSPMCETPPJAN-UHFFFAOYSA-N
XLogP1.21
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine (CID 14960330) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine is CN1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine?
The InChIKey is RIHSPMCETPPJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-5-7-15(8-6-14)11-3-2-4-12-13(11)17-10-9-16-12/h2-4H,5-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine has a molecular weight of 234.30 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methylpiperazine is sourced from PubChem (CID 14960330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).