2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one

C12H21NO — CID 21330490

IUPAC2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one
SMILESC=CCC1C(=O)CC(C)(C)NC1(C)C
InChIInChI=1S/C12H21NO/c1-6-7-9-10(14)8-11(2,3)13-12(9,4)5/h6,9,13H,1,7-8H2,2-5H3
InChIKeyUZDKBLYSBVXSIL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.30
Rot. Bonds2

About 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one

2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one (PubChem CID 21330490) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one
PubChem CID21330490
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one
SMILESC=CCC1C(=O)CC(C)(C)NC1(C)C
InChIInChI=1S/C12H21NO/c1-6-7-9-10(14)8-11(2,3)13-12(9,4)5/h6,9,13H,1,7-8H2,2-5H3
InChIKeyUZDKBLYSBVXSIL-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one?
The IUPAC name of 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one (CID 21330490) is 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one.
What is the SMILES notation for 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one?
The canonical SMILES for 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one is C=CCC1C(=O)CC(C)(C)NC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one?
The InChIKey is UZDKBLYSBVXSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-7-9-10(14)8-11(2,3)13-12(9,4)5/h6,9,13H,1,7-8H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one?
2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one has a molecular weight of 195.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-3-prop-2-enylpiperidin-4-one is sourced from PubChem (CID 21330490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).