3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione

C12H13NO3 — CID 171127244

IUPAC3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc(C2CCC(=O)NC2=O)c(O)c1
InChIInChI=1S/C12H13NO3/c1-7-2-3-8(10(14)6-7)9-4-5-11(15)13-12(9)16/h2-3,6,9,14H,4-5H2,1H3,(H,13,15,16)
InChIKeyOFJQKJLZHIDEEW-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.22
Rot. Bonds1

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

3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione (PubChem CID 171127244) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
PubChem CID171127244
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc(C2CCC(=O)NC2=O)c(O)c1
InChIInChI=1S/C12H13NO3/c1-7-2-3-8(10(14)6-7)9-4-5-11(15)13-12(9)16/h2-3,6,9,14H,4-5H2,1H3,(H,13,15,16)
InChIKeyOFJQKJLZHIDEEW-UHFFFAOYSA-N
XLogP1.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
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 3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione (CID 171127244) is 3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione is Cc1ccc(C2CCC(=O)NC2=O)c(O)c1.
What is the InChIKey of 3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione?
The InChIKey is OFJQKJLZHIDEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-2-3-8(10(14)6-7)9-4-5-11(15)13-12(9)16/h2-3,6,9,14H,4-5H2,1H3,(H,13,15,16).
What are the key properties of 3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione?
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione has a molecular weight of 219.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 171127244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).