3-methyl-1-(3-methylphenyl)piperidin-2-one

C13H17NO — CID 21249686

IUPAC3-methyl-1-(3-methylphenyl)piperidin-2-one
SMILESCc1cccc(N2CCCC(C)C2=O)c1
InChIInChI=1S/C13H17NO/c1-10-5-3-7-12(9-10)14-8-4-6-11(2)13(14)15/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyWHQVNMNGBIVKNT-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.76
Rot. Bonds1

About 3-methyl-1-(3-methylphenyl)piperidin-2-one

3-methyl-1-(3-methylphenyl)piperidin-2-one (PubChem CID 21249686) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-methyl-1-(3-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-methylphenyl)piperidin-2-one
PubChem CID21249686
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-methyl-1-(3-methylphenyl)piperidin-2-one
SMILESCc1cccc(N2CCCC(C)C2=O)c1
InChIInChI=1S/C13H17NO/c1-10-5-3-7-12(9-10)14-8-4-6-11(2)13(14)15/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyWHQVNMNGBIVKNT-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylphenyl)piperidin-2-one?
The IUPAC name of 3-methyl-1-(3-methylphenyl)piperidin-2-one (CID 21249686) is 3-methyl-1-(3-methylphenyl)piperidin-2-one.
What is the SMILES notation for 3-methyl-1-(3-methylphenyl)piperidin-2-one?
The canonical SMILES for 3-methyl-1-(3-methylphenyl)piperidin-2-one is Cc1cccc(N2CCCC(C)C2=O)c1.
What is the InChIKey of 3-methyl-1-(3-methylphenyl)piperidin-2-one?
The InChIKey is WHQVNMNGBIVKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-5-3-7-12(9-10)14-8-4-6-11(2)13(14)15/h3,5,7,9,11H,4,6,8H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylphenyl)piperidin-2-one?
3-methyl-1-(3-methylphenyl)piperidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylphenyl)piperidin-2-one is sourced from PubChem (CID 21249686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).