1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one

C13H26N2O — CID 63755560

IUPAC1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCCCC1CCN
InChIInChI=1S/C13H26N2O/c1-4-13(2,3)12(16)15-10-6-5-7-11(15)8-9-14/h11H,4-10,14H2,1-3H3
InChIKeyJSXMSHQSNVDJSB-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds4

About 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one

1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one (PubChem CID 63755560) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
PubChem CID63755560
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCCCC1CCN
InChIInChI=1S/C13H26N2O/c1-4-13(2,3)12(16)15-10-6-5-7-11(15)8-9-14/h11H,4-10,14H2,1-3H3
InChIKeyJSXMSHQSNVDJSB-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 63755069
3-amino-1-(2-ethylazepan-1-yl)-2,2-dimethylpropan-1-one
CID 104689401
2-amino-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053484
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
2,2-dimethyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79540481
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
1-(2,2-dimethylbutanoyl)azepane-2-carboxylic acid
CID 64559553
2-amino-2-cyclopropyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053178
2-amino-2-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one
CID 83052965
2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide
CID 83055527
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone
CID 103840913

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one?
The IUPAC name of 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one (CID 63755560) is 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)N1CCCCC1CCN.
What is the InChIKey of 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one?
The InChIKey is JSXMSHQSNVDJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(2,3)12(16)15-10-6-5-7-11(15)8-9-14/h11H,4-10,14H2,1-3H3.
What are the key properties of 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one?
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one is sourced from PubChem (CID 63755560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).