1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione

C13H15NO3 — CID 62934174

IUPAC1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(c2ccccc2CO)C(=O)C1
InChIInChI=1S/C13H15NO3/c1-9-6-12(16)14(13(17)7-9)11-5-3-2-4-10(11)8-15/h2-5,9,15H,6-8H2,1H3
InChIKeyXHHASHQWCBWTLP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.47
Rot. Bonds2

About 1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione

1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione (PubChem CID 62934174) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione
PubChem CID62934174
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(c2ccccc2CO)C(=O)C1
InChIInChI=1S/C13H15NO3/c1-9-6-12(16)14(13(17)7-9)11-5-3-2-4-10(11)8-15/h2-5,9,15H,6-8H2,1H3
InChIKeyXHHASHQWCBWTLP-UHFFFAOYSA-N
XLogP1.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.47
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-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione (CID 62934174) is 1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N(c2ccccc2CO)C(=O)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione?
The InChIKey is XHHASHQWCBWTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-6-12(16)14(13(17)7-9)11-5-3-2-4-10(11)8-15/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione?
1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 62934174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).