1-(4-tert-butylpiperazin-2-yl)butan-1-one

C12H24N2O — CID 90741058

IUPAC1-(4-tert-butylpiperazin-2-yl)butan-1-one
SMILESCCCC(=O)C1CN(C(C)(C)C)CCN1
InChIInChI=1S/C12H24N2O/c1-5-6-11(15)10-9-14(8-7-13-10)12(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyMZEIONURCNZVDF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.43
Rot. Bonds3

About 1-(4-tert-butylpiperazin-2-yl)butan-1-one

1-(4-tert-butylpiperazin-2-yl)butan-1-one (PubChem CID 90741058) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-2-yl)butan-1-one
PubChem CID90741058
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(4-tert-butylpiperazin-2-yl)butan-1-one
SMILESCCCC(=O)C1CN(C(C)(C)C)CCN1
InChIInChI=1S/C12H24N2O/c1-5-6-11(15)10-9-14(8-7-13-10)12(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyMZEIONURCNZVDF-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-2-yl)butan-1-one?
The IUPAC name of 1-(4-tert-butylpiperazin-2-yl)butan-1-one (CID 90741058) is 1-(4-tert-butylpiperazin-2-yl)butan-1-one.
What is the SMILES notation for 1-(4-tert-butylpiperazin-2-yl)butan-1-one?
The canonical SMILES for 1-(4-tert-butylpiperazin-2-yl)butan-1-one is CCCC(=O)C1CN(C(C)(C)C)CCN1.
What is the InChIKey of 1-(4-tert-butylpiperazin-2-yl)butan-1-one?
The InChIKey is MZEIONURCNZVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-11(15)10-9-14(8-7-13-10)12(2,3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperazin-2-yl)butan-1-one?
1-(4-tert-butylpiperazin-2-yl)butan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-2-yl)butan-1-one is sourced from PubChem (CID 90741058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).