1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone

C12H24N2O2 — CID 61074490

IUPAC1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-5-16-10-11(15)13-6-8-14(9-7-13)12(2,3)4/h5-10H2,1-4H3
InChIKeyZRODXSMAYUNILA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds3

About 1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone

1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone (PubChem CID 61074490) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
PubChem CID61074490
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-5-16-10-11(15)13-6-8-14(9-7-13)12(2,3)4/h5-10H2,1-4H3
InChIKeyZRODXSMAYUNILA-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazine, 1,4-bis(methoxyacetyl)-
CID 204973
Piperazine, 1,4-bis(ethoxyacetyl)-
CID 204974
1,4-Bis(isopropoxyacetyl)piperazine
CID 205041
Piperazine, 1,4-bis(propoxyacetyl)-
CID 204975
Piperazine, 1,4-bis(butoxyacetyl)-
CID 204976
Piperazine,1-(ethoxyacetyl)-4-ethyl-
CID 2947957
2-Methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 53517550
1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone
CID 95769722
2-Ethoxy-1-(4-(2-fluoroethyl)piperazin-1-yl)ethanone
CID 119104737
1-(3,3-Dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone
CID 122159130
4-(2-Ethoxy-2-methylpropanoyl)-1-propylpiperazin-2-one
CID 129608651
2-[(2-Methylpropan-2-yl)oxy]-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 90142568

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone (CID 61074490) is 1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone is CCOCC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone?
The InChIKey is ZRODXSMAYUNILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-16-10-11(15)13-6-8-14(9-7-13)12(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone?
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone has a molecular weight of 228.34 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone is sourced from PubChem (CID 61074490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).