2-butyl-1,3,3-trimethylpiperidin-4-one

C12H23NO — CID 15748145

IUPAC2-butyl-1,3,3-trimethylpiperidin-4-one
SMILESCCCCC1N(C)CCC(=O)C1(C)C
InChIInChI=1S/C12H23NO/c1-5-6-7-10-12(2,3)11(14)8-9-13(10)4/h10H,5-9H2,1-4H3
InChIKeyYSPXOBXSBQDVKT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds3

About 2-butyl-1,3,3-trimethylpiperidin-4-one

2-butyl-1,3,3-trimethylpiperidin-4-one (PubChem CID 15748145) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-butyl-1,3,3-trimethylpiperidin-4-one.

Molecular Properties

Compound Name2-butyl-1,3,3-trimethylpiperidin-4-one
PubChem CID15748145
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-butyl-1,3,3-trimethylpiperidin-4-one
SMILESCCCCC1N(C)CCC(=O)C1(C)C
InChIInChI=1S/C12H23NO/c1-5-6-7-10-12(2,3)11(14)8-9-13(10)4/h10H,5-9H2,1-4H3
InChIKeyYSPXOBXSBQDVKT-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3,3-trimethylpiperidin-4-one?
The IUPAC name of 2-butyl-1,3,3-trimethylpiperidin-4-one (CID 15748145) is 2-butyl-1,3,3-trimethylpiperidin-4-one.
What is the SMILES notation for 2-butyl-1,3,3-trimethylpiperidin-4-one?
The canonical SMILES for 2-butyl-1,3,3-trimethylpiperidin-4-one is CCCCC1N(C)CCC(=O)C1(C)C.
What is the InChIKey of 2-butyl-1,3,3-trimethylpiperidin-4-one?
The InChIKey is YSPXOBXSBQDVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-6-7-10-12(2,3)11(14)8-9-13(10)4/h10H,5-9H2,1-4H3.
What are the key properties of 2-butyl-1,3,3-trimethylpiperidin-4-one?
2-butyl-1,3,3-trimethylpiperidin-4-one has a molecular weight of 197.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3,3-trimethylpiperidin-4-one is sourced from PubChem (CID 15748145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).