1-deuterio-2,2,6,6-tetramethylpiperidin-4-one

C9H17NO — CID 18660815

IUPAC1-deuterio-2,2,6,6-tetramethylpiperidin-4-one
SMILES[2H]N1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3/i/hD
InChIKeyJWUXJYZVKZKLTJ-DYCDLGHISA-N
MW156.25 g/mol
LogP1.50
Rot. Bonds

About 1-deuterio-2,2,6,6-tetramethylpiperidin-4-one

1-deuterio-2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 18660815) has the molecular formula C9H17NO and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-deuterio-2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name1-deuterio-2,2,6,6-tetramethylpiperidin-4-one
PubChem CID18660815
Molecular FormulaC9H17NO
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name1-deuterio-2,2,6,6-tetramethylpiperidin-4-one
SMILES[2H]N1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3/i/hD
InChIKeyJWUXJYZVKZKLTJ-DYCDLGHISA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of 1-deuterio-2,2,6,6-tetramethylpiperidin-4-one (CID 18660815) is 1-deuterio-2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 1-deuterio-2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for 1-deuterio-2,2,6,6-tetramethylpiperidin-4-one is [2H]N1C(C)(C)CC(=O)CC1(C)C.
What is the InChIKey of 1-deuterio-2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is JWUXJYZVKZKLTJ-DYCDLGHISA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3/i/hD.
What are the key properties of 1-deuterio-2,2,6,6-tetramethylpiperidin-4-one?
1-deuterio-2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 156.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 18660815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).