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

C14H17NO2 — CID 79418120

IUPAC4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione
SMILESCc1ccccc1C1C(=O)NC(=O)CC1(C)C
InChIInChI=1S/C14H17NO2/c1-9-6-4-5-7-10(9)12-13(17)15-11(16)8-14(12,2)3/h4-7,12H,8H2,1-3H3,(H,15,16,17)
InChIKeyYRZUKGXNVSGTHA-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.15
Rot. Bonds1

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

4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione (PubChem CID 79418120) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione
PubChem CID79418120
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione
SMILESCc1ccccc1C1C(=O)NC(=O)CC1(C)C
InChIInChI=1S/C14H17NO2/c1-9-6-4-5-7-10(9)12-13(17)15-11(16)8-14(12,2)3/h4-7,12H,8H2,1-3H3,(H,15,16,17)
InChIKeyYRZUKGXNVSGTHA-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione (CID 79418120) is 4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione is Cc1ccccc1C1C(=O)NC(=O)CC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione?
The InChIKey is YRZUKGXNVSGTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-6-4-5-7-10(9)12-13(17)15-11(16)8-14(12,2)3/h4-7,12H,8H2,1-3H3,(H,15,16,17).
What are the key properties of 4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione?
4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione has a molecular weight of 231.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 79418120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).