6-methyl-5-(2-methylphenyl)piperidin-2-one

C13H17NO — CID 123290558

IUPAC6-methyl-5-(2-methylphenyl)piperidin-2-one
SMILESCc1ccccc1C1CCC(=O)NC1C
InChIInChI=1S/C13H17NO/c1-9-5-3-4-6-11(9)12-7-8-13(15)14-10(12)2/h3-6,10,12H,7-8H2,1-2H3,(H,14,15)
InChIKeyRYFLLTUMBLXWSA-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.38
Rot. Bonds1

About 6-methyl-5-(2-methylphenyl)piperidin-2-one

6-methyl-5-(2-methylphenyl)piperidin-2-one (PubChem CID 123290558) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-methyl-5-(2-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name6-methyl-5-(2-methylphenyl)piperidin-2-one
PubChem CID123290558
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name6-methyl-5-(2-methylphenyl)piperidin-2-one
SMILESCc1ccccc1C1CCC(=O)NC1C
InChIInChI=1S/C13H17NO/c1-9-5-3-4-6-11(9)12-7-8-13(15)14-10(12)2/h3-6,10,12H,7-8H2,1-2H3,(H,14,15)
InChIKeyRYFLLTUMBLXWSA-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methylphenyl)piperidin-2-one?
The IUPAC name of 6-methyl-5-(2-methylphenyl)piperidin-2-one (CID 123290558) is 6-methyl-5-(2-methylphenyl)piperidin-2-one.
What is the SMILES notation for 6-methyl-5-(2-methylphenyl)piperidin-2-one?
The canonical SMILES for 6-methyl-5-(2-methylphenyl)piperidin-2-one is Cc1ccccc1C1CCC(=O)NC1C.
What is the InChIKey of 6-methyl-5-(2-methylphenyl)piperidin-2-one?
The InChIKey is RYFLLTUMBLXWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-5-3-4-6-11(9)12-7-8-13(15)14-10(12)2/h3-6,10,12H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-5-(2-methylphenyl)piperidin-2-one?
6-methyl-5-(2-methylphenyl)piperidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methylphenyl)piperidin-2-one is sourced from PubChem (CID 123290558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).