1,4-diiodo-2-methylpiperidine

C6H11I2N — CID 170289869

IUPAC1,4-diiodo-2-methylpiperidine
SMILESCC1CC(I)CCN1I
InChIInChI=1S/C6H11I2N/c1-5-4-6(7)2-3-9(5)8/h5-6H,2-4H2,1H3
InChIKeyCFUWZVXCWLWVLX-UHFFFAOYSA-N
MW350.97 g/mol
LogP2.62
Rot. Bonds

About 1,4-diiodo-2-methylpiperidine

1,4-diiodo-2-methylpiperidine (PubChem CID 170289869) has the molecular formula C6H11I2N and a molecular weight of 350.97 g/mol. Its IUPAC name is 1,4-diiodo-2-methylpiperidine.

Molecular Properties

Compound Name1,4-diiodo-2-methylpiperidine
PubChem CID170289869
Molecular FormulaC6H11I2N
Molecular Weight350.97 g/mol
Exact Mass350.90
IUPAC Name1,4-diiodo-2-methylpiperidine
SMILESCC1CC(I)CCN1I
InChIInChI=1S/C6H11I2N/c1-5-4-6(7)2-3-9(5)8/h5-6H,2-4H2,1H3
InChIKeyCFUWZVXCWLWVLX-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.97
LogP ≤ 52.62
H-Bond Donors ≤ 50
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-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-iodo-1,2-dimethylpiperidine
CID 177325469
1-iodo-2,5-dimethylpyrrolidine
CID 121369942
1-iodo-2-methylaziridine
CID 139722499
tert-butyl (2S)-4-iodo-2-methylpiperidine-1-carboxylate
CID 175815373
(2R)-1-iodo-2,4-dimethylpiperazine
CID 130224355
(2S)-1-iodo-2,4-dimethylpiperazine
CID 139406604
1-iodo-2-methylpiperazine
CID 154534640
(2R,4S)-4-iodo-2-methylpiperidine
CID 156844978
(2S,6R)-1,4-diiodo-2,6-dimethylpiperazine
CID 160927554
(2S,3R)-2-(2,2-dimethylpropyl)-1-iodo-3-methylpyrrolidine
CID 135254907
1-iodo-4-methyl-3,4-dihydro-2H-pyridine
CID 155135892
(2R,4R)-1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]-2,4-dimethylpiperidine
CID 13239021

Frequently Asked Questions

What is the IUPAC name of 1,4-diiodo-2-methylpiperidine?
The IUPAC name of 1,4-diiodo-2-methylpiperidine (CID 170289869) is 1,4-diiodo-2-methylpiperidine.
What is the SMILES notation for 1,4-diiodo-2-methylpiperidine?
The canonical SMILES for 1,4-diiodo-2-methylpiperidine is CC1CC(I)CCN1I.
What is the InChIKey of 1,4-diiodo-2-methylpiperidine?
The InChIKey is CFUWZVXCWLWVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11I2N/c1-5-4-6(7)2-3-9(5)8/h5-6H,2-4H2,1H3.
What are the key properties of 1,4-diiodo-2-methylpiperidine?
1,4-diiodo-2-methylpiperidine has a molecular weight of 350.97 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diiodo-2-methylpiperidine is sourced from PubChem (CID 170289869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).