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

C14H20N2O2 — CID 14960324

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine
SMILESCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C14H20N2O2/c1-2-15-6-8-16(9-7-15)12-4-3-5-13-14(12)18-11-10-17-13/h3-5H,2,6-11H2,1H3
InChIKeyGEHNITYCZUHDRH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.60
Rot. Bonds2

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

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine (PubChem CID 14960324) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine
PubChem CID14960324
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine
SMILESCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C14H20N2O2/c1-2-15-6-8-16(9-7-15)12-4-3-5-13-14(12)18-11-10-17-13/h3-5H,2,6-11H2,1H3
InChIKeyGEHNITYCZUHDRH-UHFFFAOYSA-N
XLogP1.60
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.60
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-ethylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine (CID 14960324) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine is CCN1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine?
The InChIKey is GEHNITYCZUHDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-15-6-8-16(9-7-15)12-4-3-5-13-14(12)18-11-10-17-13/h3-5H,2,6-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethylpiperazine has a molecular weight of 248.33 g/mol, XLogP of 1.60, 2 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-ethylpiperazine is sourced from PubChem (CID 14960324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).