2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one

C12H24N2O2 — CID 43128287

IUPAC2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one
SMILESCCC(C)(C)OC(C)C(=O)N1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-5-12(3,4)16-10(2)11(15)14-8-6-13-7-9-14/h10,13H,5-9H2,1-4H3
InChIKeyOTFFBXXNIVGZBK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds4

About 2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one

2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one (PubChem CID 43128287) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one
PubChem CID43128287
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one
SMILESCCC(C)(C)OC(C)C(=O)N1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-5-12(3,4)16-10(2)11(15)14-8-6-13-7-9-14/h10,13H,5-9H2,1-4H3
InChIKeyOTFFBXXNIVGZBK-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one
CID 24702682
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
2-ethoxy-3-oxo-3-piperazin-1-ylpropanal
CID 173294879
2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one
CID 43128277
2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one
CID 65053236
2-ethyl-2-hydroxy-1-piperazin-1-ylbutan-1-one
CID 142001842
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159250302
2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
CID 82511384
ethyl 2-(1,4-diazepane-1-carbonyl)-3,3-dimethylbutanoate
CID 116537814

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one (CID 43128287) is 2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one is CCC(C)(C)OC(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one?
The InChIKey is OTFFBXXNIVGZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-12(3,4)16-10(2)11(15)14-8-6-13-7-9-14/h10,13H,5-9H2,1-4H3.
What are the key properties of 2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one?
2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 43128287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).