4-iodosyl-1-methylpiperidine

C6H12INO — CID 145239522

IUPAC4-iodosyl-1-methylpiperidine
SMILESCN1CCC(I=O)CC1
InChIInChI=1S/C6H12INO/c1-8-4-2-6(7-9)3-5-8/h6H,2-5H2,1H3
InChIKeyBYBYLFNXNHXXKC-UHFFFAOYSA-N
MW241.07 g/mol
LogP1.40
Rot. Bonds1

About 4-iodosyl-1-methylpiperidine

4-iodosyl-1-methylpiperidine (PubChem CID 145239522) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is 4-iodosyl-1-methylpiperidine.

Molecular Properties

Compound Name4-iodosyl-1-methylpiperidine
PubChem CID145239522
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC Name4-iodosyl-1-methylpiperidine
SMILESCN1CCC(I=O)CC1
InChIInChI=1S/C6H12INO/c1-8-4-2-6(7-9)3-5-8/h6H,2-5H2,1H3
InChIKeyBYBYLFNXNHXXKC-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 51.40
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'}

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Related Compounds

(4R)-1,4,5-trimethylazepane
CID 89169089
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
dimethyl-(1-methylpiperidin-4-yl)phosphane;ethane
CID 145388881
(1-methylpiperidin-4-yl)methanediol
CID 21366498
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
1-methylpiperidine-4-carbaldehyde;hydrobromide
CID 175478635
4-ethenyl-1-methylpiperidine;hydrochloride
CID 173358659
2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 116939114
4-methanidyl-1-methylpiperidine;uranium
CID 58931509
ethane;1-methylpiperidin-4-amine
CID 123622295
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
4-ethenyl-1-methylpiperidine;molecular hydrogen
CID 143787743

Frequently Asked Questions

What is the IUPAC name of 4-iodosyl-1-methylpiperidine?
The IUPAC name of 4-iodosyl-1-methylpiperidine (CID 145239522) is 4-iodosyl-1-methylpiperidine.
What is the SMILES notation for 4-iodosyl-1-methylpiperidine?
The canonical SMILES for 4-iodosyl-1-methylpiperidine is CN1CCC(I=O)CC1.
What is the InChIKey of 4-iodosyl-1-methylpiperidine?
The InChIKey is BYBYLFNXNHXXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO/c1-8-4-2-6(7-9)3-5-8/h6H,2-5H2,1H3.
What are the key properties of 4-iodosyl-1-methylpiperidine?
4-iodosyl-1-methylpiperidine has a molecular weight of 241.07 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodosyl-1-methylpiperidine is sourced from PubChem (CID 145239522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).