1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine

C16H24N2O2 — CID 64931800

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O2/c1-4-12-10-17-16(2,3)11-18(12)13-5-6-14-15(9-13)20-8-7-19-14/h5-6,9,12,17H,4,7-8,10-11H2,1-3H3
InChIKeyWESAEDDWKSGXKH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.42
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64931800) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine
PubChem CID64931800
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O2/c1-4-12-10-17-16(2,3)11-18(12)13-5-6-14-15(9-13)20-8-7-19-14/h5-6,9,12,17H,4,7-8,10-11H2,1-3H3
InChIKeyWESAEDDWKSGXKH-UHFFFAOYSA-N
XLogP2.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine (CID 64931800) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is WESAEDDWKSGXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-12-10-17-16(2,3)11-18(12)13-5-6-14-15(9-13)20-8-7-19-14/h5-6,9,12,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 276.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64931800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).