1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione

C14H25NO2 — CID 3028430

IUPAC1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione
SMILESCCCCCCC1(C)CC(=O)N(CC)C(=O)C1
InChIInChI=1S/C14H25NO2/c1-4-6-7-8-9-14(3)10-12(16)15(5-2)13(17)11-14/h4-11H2,1-3H3
InChIKeyZXYBIJJLQKCRSN-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.13
Rot. Bonds6

About 1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione

1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione (PubChem CID 3028430) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione
PubChem CID3028430
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione
SMILESCCCCCCC1(C)CC(=O)N(CC)C(=O)C1
InChIInChI=1S/C14H25NO2/c1-4-6-7-8-9-14(3)10-12(16)15(5-2)13(17)11-14/h4-11H2,1-3H3
InChIKeyZXYBIJJLQKCRSN-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione (CID 3028430) is 1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione is CCCCCCC1(C)CC(=O)N(CC)C(=O)C1.
What is the InChIKey of 1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione?
The InChIKey is ZXYBIJJLQKCRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-6-7-8-9-14(3)10-12(16)15(5-2)13(17)11-14/h4-11H2,1-3H3.
What are the key properties of 1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione?
1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione has a molecular weight of 239.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hexyl-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 3028430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).