1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one

C14H17NO — CID 176944263

IUPAC1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one
SMILESC=C1C(c2ccc(C)cc2)CCC(=O)N1C
InChIInChI=1S/C14H17NO/c1-10-4-6-12(7-5-10)13-8-9-14(16)15(3)11(13)2/h4-7,13H,2,8-9H2,1,3H3
InChIKeyKMVQFKUEKUEASP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.84
Rot. Bonds1

About 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one

1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one (PubChem CID 176944263) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one
PubChem CID176944263
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one
SMILESC=C1C(c2ccc(C)cc2)CCC(=O)N1C
InChIInChI=1S/C14H17NO/c1-10-4-6-12(7-5-10)13-8-9-14(16)15(3)11(13)2/h4-7,13H,2,8-9H2,1,3H3
InChIKeyKMVQFKUEKUEASP-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one?
The IUPAC name of 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one (CID 176944263) is 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one.
What is the SMILES notation for 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one?
The canonical SMILES for 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one is C=C1C(c2ccc(C)cc2)CCC(=O)N1C.
What is the InChIKey of 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one?
The InChIKey is KMVQFKUEKUEASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-4-6-12(7-5-10)13-8-9-14(16)15(3)11(13)2/h4-7,13H,2,8-9H2,1,3H3.
What are the key properties of 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one?
1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one is sourced from PubChem (CID 176944263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).