1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione

C8H11Cl2NO2 — CID 167200783

IUPAC1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione
SMILESCC1C(=O)N(Cl)C(=O)C(C)(C)C1Cl
InChIInChI=1S/C8H11Cl2NO2/c1-4-5(9)8(2,3)7(13)11(10)6(4)12/h4-5H,1-3H3
InChIKeyHDQQPQXBUDRAJH-UHFFFAOYSA-N
MW224.09 g/mol
LogP1.78
Rot. Bonds

About 1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione

1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione (PubChem CID 167200783) has the molecular formula C8H11Cl2NO2 and a molecular weight of 224.09 g/mol. Its IUPAC name is 1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione
PubChem CID167200783
Molecular FormulaC8H11Cl2NO2
Molecular Weight224.09 g/mol
Exact Mass223.02
IUPAC Name1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione
SMILESCC1C(=O)N(Cl)C(=O)C(C)(C)C1Cl
InChIInChI=1S/C8H11Cl2NO2/c1-4-5(9)8(2,3)7(13)11(10)6(4)12/h4-5H,1-3H3
InChIKeyHDQQPQXBUDRAJH-UHFFFAOYSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione?
The IUPAC name of 1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione (CID 167200783) is 1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione.
What is the SMILES notation for 1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione?
The canonical SMILES for 1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione is CC1C(=O)N(Cl)C(=O)C(C)(C)C1Cl.
What is the InChIKey of 1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione?
The InChIKey is HDQQPQXBUDRAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NO2/c1-4-5(9)8(2,3)7(13)11(10)6(4)12/h4-5H,1-3H3.
What are the key properties of 1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione?
1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione has a molecular weight of 224.09 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-3,3,5-trimethylpiperidine-2,6-dione is sourced from PubChem (CID 167200783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).