1,4-ditert-butylpiperidine-2,6-dione

C13H23NO2 — CID 23591871

IUPAC1,4-ditert-butylpiperidine-2,6-dione
SMILESCC(C)(C)C1CC(=O)N(C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H23NO2/c1-12(2,3)9-7-10(15)14(11(16)8-9)13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyKWRLCCFVTQQYQU-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.60
Rot. Bonds

About 1,4-ditert-butylpiperidine-2,6-dione

1,4-ditert-butylpiperidine-2,6-dione (PubChem CID 23591871) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1,4-ditert-butylpiperidine-2,6-dione.

Molecular Properties

Compound Name1,4-ditert-butylpiperidine-2,6-dione
PubChem CID23591871
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1,4-ditert-butylpiperidine-2,6-dione
SMILESCC(C)(C)C1CC(=O)N(C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H23NO2/c1-12(2,3)9-7-10(15)14(11(16)8-9)13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyKWRLCCFVTQQYQU-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.60
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 1,4-ditert-butylpiperidine-2,6-dione?
The IUPAC name of 1,4-ditert-butylpiperidine-2,6-dione (CID 23591871) is 1,4-ditert-butylpiperidine-2,6-dione.
What is the SMILES notation for 1,4-ditert-butylpiperidine-2,6-dione?
The canonical SMILES for 1,4-ditert-butylpiperidine-2,6-dione is CC(C)(C)C1CC(=O)N(C(C)(C)C)C(=O)C1.
What is the InChIKey of 1,4-ditert-butylpiperidine-2,6-dione?
The InChIKey is KWRLCCFVTQQYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)9-7-10(15)14(11(16)8-9)13(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 1,4-ditert-butylpiperidine-2,6-dione?
1,4-ditert-butylpiperidine-2,6-dione has a molecular weight of 225.33 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylpiperidine-2,6-dione is sourced from PubChem (CID 23591871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).