3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one

C11H22N2O — CID 55211075

IUPAC3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1CCCC(C)C1C
InChIInChI=1S/C11H22N2O/c1-8-5-4-6-13(10(8)3)11(14)9(2)7-12/h8-10H,4-7,12H2,1-3H3
InChIKeyRJZXOJXRDCOYGI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds2

About 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one

3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 55211075) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID55211075
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1CCCC(C)C1C
InChIInChI=1S/C11H22N2O/c1-8-5-4-6-13(10(8)3)11(14)9(2)7-12/h8-10H,4-7,12H2,1-3H3
InChIKeyRJZXOJXRDCOYGI-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-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

2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 104903392
1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
CID 115647053
1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one
CID 62637898
2-bromo-1-(2,3-dimethylpiperidin-1-yl)butan-1-one
CID 62856002
(2S)-2-amino-1-(2,3-dimethylpiperidin-1-yl)hexan-1-one
CID 103831675
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104908334
ethyl 2-(2,3-dimethylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537998
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 62670176
(2S,3S)-2-methyl-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 122115222

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one (CID 55211075) is 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one is CC(CN)C(=O)N1CCCC(C)C1C.
What is the InChIKey of 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is RJZXOJXRDCOYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-5-4-6-13(10(8)3)11(14)9(2)7-12/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one?
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 55211075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).