3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one

C9H17NO — CID 15619864

IUPAC3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)C1([2H])[2H]
InChIInChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2
InChIKeyJWUXJYZVKZKLTJ-NMRSHPDNSA-N
MW171.34 g/mol
LogP1.50
Rot. Bonds4

About 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one

3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one (PubChem CID 15619864) has the molecular formula C9H17NO and a molecular weight of 171.34 g/mol. Its IUPAC name is 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one.

Molecular Properties

Compound Name3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one
PubChem CID15619864
Molecular FormulaC9H17NO
Molecular Weight171.34 g/mol
Exact Mass171.23
IUPAC Name3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)C1([2H])[2H]
InChIInChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2
InChIKeyJWUXJYZVKZKLTJ-NMRSHPDNSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one?
The IUPAC name of 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one (CID 15619864) is 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one.
What is the SMILES notation for 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one?
The canonical SMILES for 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)C1([2H])[2H].
What is the InChIKey of 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one?
The InChIKey is JWUXJYZVKZKLTJ-NMRSHPDNSA-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/i1D3,2D3,3D3,4D3,5D2,6D2.
What are the key properties of 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one?
3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one has a molecular weight of 171.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one is sourced from PubChem (CID 15619864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).