3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one

C15H24FNO — CID 156780048

IUPAC3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one
SMILESC=CCN1C(C)(C)CC(=O)C(F)(CC=C)C1(C)C
InChIInChI=1S/C15H24FNO/c1-7-9-15(16)12(18)11-13(3,4)17(10-8-2)14(15,5)6/h7-8H,1-2,9-11H2,3-6H3
InChIKeyTVFQIGLRISXCLU-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.29
Rot. Bonds4

About 3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one

3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one (PubChem CID 156780048) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one.

Molecular Properties

Compound Name3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one
PubChem CID156780048
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one
SMILESC=CCN1C(C)(C)CC(=O)C(F)(CC=C)C1(C)C
InChIInChI=1S/C15H24FNO/c1-7-9-15(16)12(18)11-13(3,4)17(10-8-2)14(15,5)6/h7-8H,1-2,9-11H2,3-6H3
InChIKeyTVFQIGLRISXCLU-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
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 3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one?
The IUPAC name of 3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one (CID 156780048) is 3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one.
What is the SMILES notation for 3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one?
The canonical SMILES for 3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one is C=CCN1C(C)(C)CC(=O)C(F)(CC=C)C1(C)C.
What is the InChIKey of 3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one?
The InChIKey is TVFQIGLRISXCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-7-9-15(16)12(18)11-13(3,4)17(10-8-2)14(15,5)6/h7-8H,1-2,9-11H2,3-6H3.
What are the key properties of 3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one?
3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one has a molecular weight of 253.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one is sourced from PubChem (CID 156780048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).