1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione

C13H15NO3 — CID 64794979

IUPAC1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione
SMILESCc1ccc(N2C(=O)CC(C)CC2=O)cc1O
InChIInChI=1S/C13H15NO3/c1-8-5-12(16)14(13(17)6-8)10-4-3-9(2)11(15)7-10/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyASLUIMVHYYNPRQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.99
Rot. Bonds1

About 1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione

1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione (PubChem CID 64794979) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione
PubChem CID64794979
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione
SMILESCc1ccc(N2C(=O)CC(C)CC2=O)cc1O
InChIInChI=1S/C13H15NO3/c1-8-5-12(16)14(13(17)6-8)10-4-3-9(2)11(15)7-10/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyASLUIMVHYYNPRQ-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione (CID 64794979) is 1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione is Cc1ccc(N2C(=O)CC(C)CC2=O)cc1O.
What is the InChIKey of 1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione?
The InChIKey is ASLUIMVHYYNPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-5-12(16)14(13(17)6-8)10-4-3-9(2)11(15)7-10/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione?
1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 64794979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).