1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one

C11H22N2O — CID 83699578

IUPAC1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(N)CC1(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-10(14)13-7-6-9(12)8-11(13,2)3/h9H,4-8,12H2,1-3H3
InChIKeyRVNIRJZWIFNLGF-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.51
Rot. Bonds2

About 1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one

1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one (PubChem CID 83699578) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one
PubChem CID83699578
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(N)CC1(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-10(14)13-7-6-9(12)8-11(13,2)3/h9H,4-8,12H2,1-3H3
InChIKeyRVNIRJZWIFNLGF-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-amino-2,2-dimethylpiperidin-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

Related Compounds

1-(4-amino-2,2-dimethylpiperidin-1-yl)propan-1-one
CID 83696910
1-(4-amino-2,2-dimethylpiperidin-1-yl)-3-cyclobutylpropan-1-one
CID 115276179
1-(4-amino-2,2-dimethylpiperidin-1-yl)-2-cyclopentylethanone
CID 115276154
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one
CID 115276032
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-cyclopentylbutan-1-one
CID 115275751
1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one
CID 165459008
2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276015
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-(4-bromophenyl)butan-1-one
CID 115275743
(4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 115276130
2-cyclohexyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276010
4-amino-N-cyclopropyl-2,2-dimethylpyrrolidine-1-carboxamide
CID 115269144
1-(4-amino-2,2-dimethylpyrrolidin-1-yl)-4-(2-bromophenyl)butan-1-one
CID 115275754

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one?
The IUPAC name of 1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one (CID 83699578) is 1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one is CCCC(=O)N1CCC(N)CC1(C)C.
What is the InChIKey of 1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one?
The InChIKey is RVNIRJZWIFNLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-10(14)13-7-6-9(12)8-11(13,2)3/h9H,4-8,12H2,1-3H3.
What are the key properties of 1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one?
1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 83699578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).