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

C14H17NO3 — CID 90919882

IUPAC1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione
SMILESCc1cc(N2C(=O)CC(C)C(C)C2=O)ccc1O
InChIInChI=1S/C14H17NO3/c1-8-7-13(17)15(14(18)10(8)3)11-4-5-12(16)9(2)6-11/h4-6,8,10,16H,7H2,1-3H3
InChIKeyHIDHOIJVLFGGIZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.24
Rot. Bonds1

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

1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione (PubChem CID 90919882) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione
PubChem CID90919882
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione
SMILESCc1cc(N2C(=O)CC(C)C(C)C2=O)ccc1O
InChIInChI=1S/C14H17NO3/c1-8-7-13(17)15(14(18)10(8)3)11-4-5-12(16)9(2)6-11/h4-6,8,10,16H,7H2,1-3H3
InChIKeyHIDHOIJVLFGGIZ-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxy-4-methylphenyl)-4-methylpiperidine-2,6-dione
CID 64794979
1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500910
1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione
CID 55139506
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
4-(bromomethyl)-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168504407
1-(3-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 61037815
1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2732619
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
1-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 117062890
(3R)-3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 51859939
2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826781
1-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 103500871

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione (CID 90919882) is 1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione is Cc1cc(N2C(=O)CC(C)C(C)C2=O)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione?
The InChIKey is HIDHOIJVLFGGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-7-13(17)15(14(18)10(8)3)11-4-5-12(16)9(2)6-11/h4-6,8,10,16H,7H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione?
1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione has a molecular weight of 247.29 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylphenyl)-3,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 90919882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).