3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one

C12H24N2O — CID 127707871

IUPAC3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCN(C)CC1(C)C
InChIInChI=1S/C12H24N2O/c1-10(2)8-11(15)14-7-6-13(5)9-12(14,3)4/h10H,6-9H2,1-5H3
InChIKeyRWWFXYOKPBRIQB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.59
Rot. Bonds2

About 3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one

3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one (PubChem CID 127707871) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one
PubChem CID127707871
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCN(C)CC1(C)C
InChIInChI=1S/C12H24N2O/c1-10(2)8-11(15)14-7-6-13(5)9-12(14,3)4/h10H,6-9H2,1-5H3
InChIKeyRWWFXYOKPBRIQB-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one (CID 127707871) is 3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one is CC(C)CC(=O)N1CCN(C)CC1(C)C.
What is the InChIKey of 3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one?
The InChIKey is RWWFXYOKPBRIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)8-11(15)14-7-6-13(5)9-12(14,3)4/h10H,6-9H2,1-5H3.
What are the key properties of 3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one?
3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 127707871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).