3-(4-methylpiperazin-2-yl)butan-2-one

C9H18N2O — CID 82412326

IUPAC3-(4-methylpiperazin-2-yl)butan-2-one
SMILESCC(=O)C(C)C1CN(C)CCN1
InChIInChI=1S/C9H18N2O/c1-7(8(2)12)9-6-11(3)5-4-10-9/h7,9-10H,4-6H2,1-3H3
InChIKeyMYASRIJEPXYIAL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.12
Rot. Bonds2

About 3-(4-methylpiperazin-2-yl)butan-2-one

3-(4-methylpiperazin-2-yl)butan-2-one (PubChem CID 82412326) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(4-methylpiperazin-2-yl)butan-2-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-2-yl)butan-2-one
PubChem CID82412326
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(4-methylpiperazin-2-yl)butan-2-one
SMILESCC(=O)C(C)C1CN(C)CCN1
InChIInChI=1S/C9H18N2O/c1-7(8(2)12)9-6-11(3)5-4-10-9/h7,9-10H,4-6H2,1-3H3
InChIKeyMYASRIJEPXYIAL-UHFFFAOYSA-N
XLogP0.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylpiperazin-2-yl)butan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
N,N,2-trimethyl-1-(4-methylpiperazin-2-yl)propan-1-amine
CID 116910990
(3R)-1-methyl-3-propan-2-yl-1,4-diazocane
CID 131122145
(3R)-1,3-dimethylpiperazine;ethane
CID 143846249
1,3-dimethylpiperazine;ethane
CID 167500512
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine
CID 116911029
3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672
1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine
CID 145028999
1-(4-propan-2-ylpiperazin-2-yl)ethanone
CID 59646570
(4-methylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941344
(3R)-1,3-dimethylpiperazine;molecular hydrogen
CID 145424168
2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241664

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-2-yl)butan-2-one?
The IUPAC name of 3-(4-methylpiperazin-2-yl)butan-2-one (CID 82412326) is 3-(4-methylpiperazin-2-yl)butan-2-one.
What is the SMILES notation for 3-(4-methylpiperazin-2-yl)butan-2-one?
The canonical SMILES for 3-(4-methylpiperazin-2-yl)butan-2-one is CC(=O)C(C)C1CN(C)CCN1.
What is the InChIKey of 3-(4-methylpiperazin-2-yl)butan-2-one?
The InChIKey is MYASRIJEPXYIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(8(2)12)9-6-11(3)5-4-10-9/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 3-(4-methylpiperazin-2-yl)butan-2-one?
3-(4-methylpiperazin-2-yl)butan-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-2-yl)butan-2-one is sourced from PubChem (CID 82412326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).