1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one

C11H22N2O — CID 94547731

IUPAC1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C11H22N2O/c1-4-11(2,3)10(14)13-7-5-6-9(12)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeyFSLRBXJXRHLDDD-SECBINFHSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds2

About 1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one

1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one (PubChem CID 94547731) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
PubChem CID94547731
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C11H22N2O/c1-4-11(2,3)10(14)13-7-5-6-9(12)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChIKeyFSLRBXJXRHLDDD-SECBINFHSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 62677876
2,2-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 62679191
1-[3-(bromomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 80666826
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 114801077
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one
CID 127012089
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 44616106
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one?
The IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one (CID 94547731) is 1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one?
The InChIKey is FSLRBXJXRHLDDD-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(2,3)10(14)13-7-5-6-9(12)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one?
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one is sourced from PubChem (CID 94547731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).