4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione

C16H21NO2 — CID 42628278

IUPAC4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione
SMILESCc1ccccc1N1C(=O)CC(C(C)(C)C)CC1=O
InChIInChI=1S/C16H21NO2/c1-11-7-5-6-8-13(11)17-14(18)9-12(10-15(17)19)16(2,3)4/h5-8,12H,9-10H2,1-4H3
InChIKeyOPGUZUQNDJGTTR-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.31
Rot. Bonds1

About 4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione

4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione (PubChem CID 42628278) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione
PubChem CID42628278
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione
SMILESCc1ccccc1N1C(=O)CC(C(C)(C)C)CC1=O
InChIInChI=1S/C16H21NO2/c1-11-7-5-6-8-13(11)17-14(18)9-12(10-15(17)19)16(2,3)4/h5-8,12H,9-10H2,1-4H3
InChIKeyOPGUZUQNDJGTTR-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
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-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione (CID 42628278) is 4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione is Cc1ccccc1N1C(=O)CC(C(C)(C)C)CC1=O.
What is the InChIKey of 4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione?
The InChIKey is OPGUZUQNDJGTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-7-5-6-8-13(11)17-14(18)9-12(10-15(17)19)16(2,3)4/h5-8,12H,9-10H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione?
4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione has a molecular weight of 259.35 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 42628278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).