3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one

C11H22N2O — CID 4634576

IUPAC3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one
SMILESCN1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-11(2,3)9-10(14)13-7-5-12(4)6-8-13/h5-9H2,1-4H3
InChIKeyBSVRYTQZHUCFKV-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.20
Rot. Bonds1

About 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one

3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one (PubChem CID 4634576) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one
PubChem CID4634576
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one
SMILESCN1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-11(2,3)9-10(14)13-7-5-12(4)6-8-13/h5-9H2,1-4H3
InChIKeyBSVRYTQZHUCFKV-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one?
The IUPAC name of 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one (CID 4634576) is 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one is CN1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one?
The InChIKey is BSVRYTQZHUCFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)9-10(14)13-7-5-12(4)6-8-13/h5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one?
3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 4634576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).