3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione

C12H11Cl2NO2 — CID 14531160

IUPAC3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione
SMILESO=C1CCC(Cc2ccc(Cl)c(Cl)c2)C(=O)N1
InChIInChI=1S/C12H11Cl2NO2/c13-9-3-1-7(6-10(9)14)5-8-2-4-11(16)15-12(8)17/h1,3,6,8H,2,4-5H2,(H,15,16,17)
InChIKeyOZDLLIVQLIUJJD-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.59
Rot. Bonds2

About 3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione

3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione (PubChem CID 14531160) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione
PubChem CID14531160
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione
SMILESO=C1CCC(Cc2ccc(Cl)c(Cl)c2)C(=O)N1
InChIInChI=1S/C12H11Cl2NO2/c13-9-3-1-7(6-10(9)14)5-8-2-4-11(16)15-12(8)17/h1,3,6,8H,2,4-5H2,(H,15,16,17)
InChIKeyOZDLLIVQLIUJJD-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.59
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 3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione (CID 14531160) is 3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione is O=C1CCC(Cc2ccc(Cl)c(Cl)c2)C(=O)N1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione?
The InChIKey is OZDLLIVQLIUJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c13-9-3-1-7(6-10(9)14)5-8-2-4-11(16)15-12(8)17/h1,3,6,8H,2,4-5H2,(H,15,16,17).
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione?
3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione has a molecular weight of 272.13 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 14531160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).