3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one

C10H20N2O — CID 116920060

IUPAC3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
SMILESCC(C)C(=O)CC1CNCCN1C
InChIInChI=1S/C10H20N2O/c1-8(2)10(13)6-9-7-11-4-5-12(9)3/h8-9,11H,4-7H2,1-3H3
InChIKeyTWMXFBYVIPZSRM-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.51
Rot. Bonds3

About 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one

3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one (PubChem CID 116920060) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
PubChem CID116920060
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
SMILESCC(C)C(=O)CC1CNCCN1C
InChIInChI=1S/C10H20N2O/c1-8(2)10(13)6-9-7-11-4-5-12(9)3/h8-9,11H,4-7H2,1-3H3
InChIKeyTWMXFBYVIPZSRM-UHFFFAOYSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(1-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-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone
CID 116920123
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
1-(1-methylpiperazin-2-yl)propan-2-amine
CID 116941733
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
N-(cyclopentylmethyl)-2-(1-methylpiperazin-2-yl)acetamide
CID 115178411
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine
CID 116941732
2-[(1-methylpiperazin-2-yl)methoxy]acetic acid
CID 83817784
1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone
CID 116920117
ethane;(1-methylpiperazin-2-yl)methanethiol
CID 171068891
(1-methylpiperazin-2-yl)methyl dihydrogen phosphate
CID 68639832

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one?
The IUPAC name of 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one (CID 116920060) is 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one?
The canonical SMILES for 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one is CC(C)C(=O)CC1CNCCN1C.
What is the InChIKey of 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one?
The InChIKey is TWMXFBYVIPZSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)10(13)6-9-7-11-4-5-12(9)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one?
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one is sourced from PubChem (CID 116920060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).