1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione

C15H19NO2 — CID 82130522

IUPAC1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione
SMILESCc1ccc(C)c(CCN2C(=O)CCCC2=O)c1
InChIInChI=1S/C15H19NO2/c1-11-6-7-12(2)13(10-11)8-9-16-14(17)4-3-5-15(16)18/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyIYYHEXLQNCPGSZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.39
Rot. Bonds3

About 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione

1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione (PubChem CID 82130522) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione
PubChem CID82130522
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione
SMILESCc1ccc(C)c(CCN2C(=O)CCCC2=O)c1
InChIInChI=1S/C15H19NO2/c1-11-6-7-12(2)13(10-11)8-9-16-14(17)4-3-5-15(16)18/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyIYYHEXLQNCPGSZ-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.39
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

1-[2-(2,4-dimethylphenyl)ethyl]piperidine-2,6-dione
CID 82130524
3-amino-1-[2-(2,5-dimethylphenyl)ethyl]pyrrolidine-2,5-dione
CID 82159469
1-[(2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-5-one
CID 42275697
1-[(2,5-dimethylphenyl)methyl]piperazine-2,6-dione
CID 66062258
1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82129052
1-[(2,5-dimethylphenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783150
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid
CID 82485246
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
CID 82159012
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione (CID 82130522) is 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione is Cc1ccc(C)c(CCN2C(=O)CCCC2=O)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione?
The InChIKey is IYYHEXLQNCPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-6-7-12(2)13(10-11)8-9-16-14(17)4-3-5-15(16)18/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione?
1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione has a molecular weight of 245.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 82130522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).