1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione

C12H11Cl2NO2 — CID 94697420

IUPAC1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO2/c13-9-5-4-8(10(14)6-9)7-15-11(16)2-1-3-12(15)17/h4-6H,1-3,7H2
InChIKeyNIUSOKYGEVSSJW-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.03
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione

1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione (PubChem CID 94697420) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione
PubChem CID94697420
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO2/c13-9-5-4-8(10(14)6-9)7-15-11(16)2-1-3-12(15)17/h4-6H,1-3,7H2
InChIKeyNIUSOKYGEVSSJW-UHFFFAOYSA-N
XLogP3.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.03
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 1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione (CID 94697420) is 1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione is O=C1CCCC(=O)N1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione?
The InChIKey is NIUSOKYGEVSSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c13-9-5-4-8(10(14)6-9)7-15-11(16)2-1-3-12(15)17/h4-6H,1-3,7H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione?
1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione has a molecular weight of 272.13 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 94697420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).