1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C12H24N2O2 — CID 112603434

IUPAC1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CN(C(=O)COC(C)(C)C)C(C)CN1
InChIInChI=1S/C12H24N2O2/c1-9-7-14(10(2)6-13-9)11(15)8-16-12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyFJPJQENRWKZYSV-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds2

About 1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 112603434) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID112603434
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CN(C(=O)COC(C)(C)C)C(C)CN1
InChIInChI=1S/C12H24N2O2/c1-9-7-14(10(2)6-13-9)11(15)8-16-12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyFJPJQENRWKZYSV-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 112603434) is 1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is CC1CN(C(=O)COC(C)(C)C)C(C)CN1.
What is the InChIKey of 1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is FJPJQENRWKZYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-7-14(10(2)6-13-9)11(15)8-16-12(3,4)5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 228.34 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 112603434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).