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

C15H25NO — CID 175130807

IUPAC2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one
SMILESC=CCC1C(=O)CC(C)(C)N(CC=C)C1(C)C
InChIInChI=1S/C15H25NO/c1-7-9-12-13(17)11-14(3,4)16(10-8-2)15(12,5)6/h7-8,12H,1-2,9-11H2,3-6H3
InChIKeyYFAMYJQJZJCGPM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.20
Rot. Bonds4

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

2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one (PubChem CID 175130807) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one
PubChem CID175130807
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one
SMILESC=CCC1C(=O)CC(C)(C)N(CC=C)C1(C)C
InChIInChI=1S/C15H25NO/c1-7-9-12-13(17)11-14(3,4)16(10-8-2)15(12,5)6/h7-8,12H,1-2,9-11H2,3-6H3
InChIKeyYFAMYJQJZJCGPM-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.20
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 2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one?
The IUPAC name of 2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one (CID 175130807) is 2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one.
What is the SMILES notation for 2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one?
The canonical SMILES for 2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one is C=CCC1C(=O)CC(C)(C)N(CC=C)C1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one?
The InChIKey is YFAMYJQJZJCGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-7-9-12-13(17)11-14(3,4)16(10-8-2)15(12,5)6/h7-8,12H,1-2,9-11H2,3-6H3.
What are the key properties of 2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one?
2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one has a molecular weight of 235.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1,3-bis(prop-2-enyl)piperidin-4-one is sourced from PubChem (CID 175130807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).