1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one

C15H21NO — CID 117020027

IUPAC1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one
SMILESCc1cccc(C)c1N1CCC(=O)CC1(C)C
InChIInChI=1S/C15H21NO/c1-11-6-5-7-12(2)14(11)16-9-8-13(17)10-15(16,3)4/h5-7H,8-10H2,1-4H3
InChIKeyFXFWSTGYLXEAQU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.25
Rot. Bonds1

About 1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one

1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one (PubChem CID 117020027) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one
PubChem CID117020027
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one
SMILESCc1cccc(C)c1N1CCC(=O)CC1(C)C
InChIInChI=1S/C15H21NO/c1-11-6-5-7-12(2)14(11)16-9-8-13(17)10-15(16,3)4/h5-7H,8-10H2,1-4H3
InChIKeyFXFWSTGYLXEAQU-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one (CID 117020027) is 1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one is Cc1cccc(C)c1N1CCC(=O)CC1(C)C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one?
The InChIKey is FXFWSTGYLXEAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-5-7-12(2)14(11)16-9-8-13(17)10-15(16,3)4/h5-7H,8-10H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one?
1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one is sourced from PubChem (CID 117020027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).