1-(diethyl-λ3-iodanyl)piperidin-4-one

C9H18INO — CID 156702521

IUPAC1-(diethyl-λ3-iodanyl)piperidin-4-one
SMILESCCI(CC)N1CCC(=O)CC1
InChIInChI=1S/C9H18INO/c1-3-10(4-2)11-7-5-9(12)6-8-11/h3-8H2,1-2H3
InChIKeyJGUDZLUJWLMSHH-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.11
Rot. Bonds3

About 1-(diethyl-λ3-iodanyl)piperidin-4-one

1-(diethyl-λ3-iodanyl)piperidin-4-one (PubChem CID 156702521) has the molecular formula C9H18INO and a molecular weight of 283.15 g/mol. Its IUPAC name is 1-(diethyl-λ3-iodanyl)piperidin-4-one.

Molecular Properties

Compound Name1-(diethyl-λ3-iodanyl)piperidin-4-one
PubChem CID156702521
Molecular FormulaC9H18INO
Molecular Weight283.15 g/mol
Exact Mass283.04
IUPAC Name1-(diethyl-λ3-iodanyl)piperidin-4-one
SMILESCCI(CC)N1CCC(=O)CC1
InChIInChI=1S/C9H18INO/c1-3-10(4-2)11-7-5-9(12)6-8-11/h3-8H2,1-2H3
InChIKeyJGUDZLUJWLMSHH-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diethyl-λ3-iodanyl)piperidin-4-one?
The IUPAC name of 1-(diethyl-λ3-iodanyl)piperidin-4-one (CID 156702521) is 1-(diethyl-λ3-iodanyl)piperidin-4-one.
What is the SMILES notation for 1-(diethyl-λ3-iodanyl)piperidin-4-one?
The canonical SMILES for 1-(diethyl-λ3-iodanyl)piperidin-4-one is CCI(CC)N1CCC(=O)CC1.
What is the InChIKey of 1-(diethyl-λ3-iodanyl)piperidin-4-one?
The InChIKey is JGUDZLUJWLMSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO/c1-3-10(4-2)11-7-5-9(12)6-8-11/h3-8H2,1-2H3.
What are the key properties of 1-(diethyl-λ3-iodanyl)piperidin-4-one?
1-(diethyl-λ3-iodanyl)piperidin-4-one has a molecular weight of 283.15 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethyl-λ3-iodanyl)piperidin-4-one is sourced from PubChem (CID 156702521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).