1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one

C12H23NO — CID 15066271

IUPAC1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
SMILESCC(=O)CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-9(14)6-10-7-11(2,3)13-12(4,5)8-10/h10,13H,6-8H2,1-5H3
InChIKeyBBFOSGFREIUSML-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds2

About 1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one

1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one (PubChem CID 15066271) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
PubChem CID15066271
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
SMILESCC(=O)CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-9(14)6-10-7-11(2,3)13-12(4,5)8-10/h10,13H,6-8H2,1-5H3
InChIKeyBBFOSGFREIUSML-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one?
The IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one (CID 15066271) is 1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one?
The canonical SMILES for 1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one is CC(=O)CC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one?
The InChIKey is BBFOSGFREIUSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(14)6-10-7-11(2,3)13-12(4,5)8-10/h10,13H,6-8H2,1-5H3.
What are the key properties of 1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one?
1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one is sourced from PubChem (CID 15066271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).