(4S)-6-iodo-4-methylpiperidin-2-one

C6H10INO — CID 170011470

IUPAC(4S)-6-iodo-4-methylpiperidin-2-one
SMILESC[C@H]1CC(=O)NC(I)C1
InChIInChI=1S/C6H10INO/c1-4-2-5(7)8-6(9)3-4/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5?/m1/s1
InChIKeyXUSZRDWIDGUAFB-CNZKWPKMSA-N
MW239.06 g/mol
LogP1.29
Rot. Bonds

About (4S)-6-iodo-4-methylpiperidin-2-one

(4S)-6-iodo-4-methylpiperidin-2-one (PubChem CID 170011470) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is (4S)-6-iodo-4-methylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-6-iodo-4-methylpiperidin-2-one
PubChem CID170011470
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name(4S)-6-iodo-4-methylpiperidin-2-one
SMILESC[C@H]1CC(=O)NC(I)C1
InChIInChI=1S/C6H10INO/c1-4-2-5(7)8-6(9)3-4/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5?/m1/s1
InChIKeyXUSZRDWIDGUAFB-CNZKWPKMSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-iodo-4-methylpiperidin-2-one?
The IUPAC name of (4S)-6-iodo-4-methylpiperidin-2-one (CID 170011470) is (4S)-6-iodo-4-methylpiperidin-2-one.
What is the SMILES notation for (4S)-6-iodo-4-methylpiperidin-2-one?
The canonical SMILES for (4S)-6-iodo-4-methylpiperidin-2-one is C[C@H]1CC(=O)NC(I)C1.
What is the InChIKey of (4S)-6-iodo-4-methylpiperidin-2-one?
The InChIKey is XUSZRDWIDGUAFB-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H10INO/c1-4-2-5(7)8-6(9)3-4/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5?/m1/s1.
What are the key properties of (4S)-6-iodo-4-methylpiperidin-2-one?
(4S)-6-iodo-4-methylpiperidin-2-one has a molecular weight of 239.06 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-iodo-4-methylpiperidin-2-one is sourced from PubChem (CID 170011470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).