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

C14H16ClNO2 — CID 4580288

IUPAC1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCc1ccc(N2C(=O)CC(C)(C)CC2=O)cc1Cl
InChIInChI=1S/C14H16ClNO2/c1-9-4-5-10(6-11(9)15)16-12(17)7-14(2,3)8-13(16)18/h4-6H,7-8H2,1-3H3
InChIKeyXMEFOKHZIDKNLF-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.33
Rot. Bonds1

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

1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 4580288) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID4580288
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCc1ccc(N2C(=O)CC(C)(C)CC2=O)cc1Cl
InChIInChI=1S/C14H16ClNO2/c1-9-4-5-10(6-11(9)15)16-12(17)7-14(2,3)8-13(16)18/h4-6H,7-8H2,1-3H3
InChIKeyXMEFOKHZIDKNLF-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-4-acetotoluidide
CID 23537
Pentanochlor
CID 16826
1-(3,5-Dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732368
8-(4-Methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 1988196
1-(3-chloro-4-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 707109
1-(3-Chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 646296
3'-Chloro-P-propionotoluidide
CID 234745
3-(3-Chloro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
CID 832306
N-(3-chloro-2-methylphenyl)-2,2-dimethylbutanamide
CID 884446
1-(3-Chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732475
1-(2,5-Dichlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732479
1-(5-Chloro-2-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732488

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione (CID 4580288) is 1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione is Cc1ccc(N2C(=O)CC(C)(C)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is XMEFOKHZIDKNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-4-5-10(6-11(9)15)16-12(17)7-14(2,3)8-13(16)18/h4-6H,7-8H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione?
1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 265.74 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 4580288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).