1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one

C11H22N2O — CID 82505874

IUPAC1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1CCN
InChIInChI=1S/C11H22N2O/c1-10(2)7-9(14)8-11(3,4)13(10)6-5-12/h5-8,12H2,1-4H3
InChIKeySAGVBZCYDMHKDC-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.17
Rot. Bonds2

About 1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one

1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 82505874) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one
PubChem CID82505874
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1CCN
InChIInChI=1S/C11H22N2O/c1-10(2)7-9(14)8-11(3,4)13(10)6-5-12/h5-8,12H2,1-4H3
InChIKeySAGVBZCYDMHKDC-UHFFFAOYSA-N
XLogP1.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of 1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one (CID 82505874) is 1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for 1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)CC(C)(C)N1CCN.
What is the InChIKey of 1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is SAGVBZCYDMHKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)7-9(14)8-11(3,4)13(10)6-5-12/h5-8,12H2,1-4H3.
What are the key properties of 1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one?
1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 198.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 82505874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).