4-(1-iodoethoxy)-1-methylpiperidine

C8H16INO — CID 155007937

IUPAC4-(1-iodoethoxy)-1-methylpiperidine
SMILESCC(I)OC1CCN(C)CC1
InChIInChI=1S/C8H16INO/c1-7(9)11-8-3-5-10(2)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyCMADVSUIMIMIAI-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.88
Rot. Bonds2

About 4-(1-iodoethoxy)-1-methylpiperidine

4-(1-iodoethoxy)-1-methylpiperidine (PubChem CID 155007937) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-(1-iodoethoxy)-1-methylpiperidine.

Molecular Properties

Compound Name4-(1-iodoethoxy)-1-methylpiperidine
PubChem CID155007937
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name4-(1-iodoethoxy)-1-methylpiperidine
SMILESCC(I)OC1CCN(C)CC1
InChIInChI=1S/C8H16INO/c1-7(9)11-8-3-5-10(2)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyCMADVSUIMIMIAI-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 4-(1-iodoethoxy)-1-methylpiperidine?
The IUPAC name of 4-(1-iodoethoxy)-1-methylpiperidine (CID 155007937) is 4-(1-iodoethoxy)-1-methylpiperidine.
What is the SMILES notation for 4-(1-iodoethoxy)-1-methylpiperidine?
The canonical SMILES for 4-(1-iodoethoxy)-1-methylpiperidine is CC(I)OC1CCN(C)CC1.
What is the InChIKey of 4-(1-iodoethoxy)-1-methylpiperidine?
The InChIKey is CMADVSUIMIMIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-7(9)11-8-3-5-10(2)6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(1-iodoethoxy)-1-methylpiperidine?
4-(1-iodoethoxy)-1-methylpiperidine has a molecular weight of 269.13 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-iodoethoxy)-1-methylpiperidine is sourced from PubChem (CID 155007937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).