3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one

C13H26N2O — CID 116923575

IUPAC3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one
SMILESCNCC(C(=O)C1CCN(C)CC1)C(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)12(9-14-3)13(16)11-5-7-15(4)8-6-11/h10-12,14H,5-9H2,1-4H3
InChIKeyHLFCMLJGTBHBTM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.39
Rot. Bonds5

About 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one

3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one (PubChem CID 116923575) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one
PubChem CID116923575
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one
SMILESCNCC(C(=O)C1CCN(C)CC1)C(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)12(9-14-3)13(16)11-5-7-15(4)8-6-11/h10-12,14H,5-9H2,1-4H3
InChIKeyHLFCMLJGTBHBTM-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-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

Related Compounds

1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923569
2-chloro-1-(1-methylpiperidin-4-yl)propan-1-one
CID 116863811
3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide
CID 115187655
3-methyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]butanoic acid
CID 115250232
3-methyl-2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65219948
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide
CID 79202200
2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
CID 116574057
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
methyl 2-fluoro-3-(1-methylpiperidin-4-yl)-3-oxopropanoate
CID 105470836
2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 155783343
3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid
CID 115250234

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one?
The IUPAC name of 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one (CID 116923575) is 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one.
What is the SMILES notation for 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one?
The canonical SMILES for 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one is CNCC(C(=O)C1CCN(C)CC1)C(C)C.
What is the InChIKey of 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one?
The InChIKey is HLFCMLJGTBHBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)12(9-14-3)13(16)11-5-7-15(4)8-6-11/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one?
3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one is sourced from PubChem (CID 116923575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).