2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone

C16H23NO — CID 58070196

IUPAC2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone
SMILESCc1cccc(C)c1CC(=O)C1CCCCN1C
InChIInChI=1S/C16H23NO/c1-12-7-6-8-13(2)14(12)11-16(18)15-9-4-5-10-17(15)3/h6-8,15H,4-5,9-11H2,1-3H3
InChIKeyOGGUWQXGYMBAEU-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.90
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone

2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone (PubChem CID 58070196) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone
PubChem CID58070196
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone
SMILESCc1cccc(C)c1CC(=O)C1CCCCN1C
InChIInChI=1S/C16H23NO/c1-12-7-6-8-13(2)14(12)11-16(18)15-9-4-5-10-17(15)3/h6-8,15H,4-5,9-11H2,1-3H3
InChIKeyOGGUWQXGYMBAEU-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone (CID 58070196) is 2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone is Cc1cccc(C)c1CC(=O)C1CCCCN1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone?
The InChIKey is OGGUWQXGYMBAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-7-6-8-13(2)14(12)11-16(18)15-9-4-5-10-17(15)3/h6-8,15H,4-5,9-11H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone?
2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(1-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 58070196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).