4-iodo-1-(2-methoxyethyl)piperidine

C8H16INO — CID 126716491

IUPAC4-iodo-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCC(I)CC1
InChIInChI=1S/C8H16INO/c1-11-7-6-10-4-2-8(9)3-5-10/h8H,2-7H2,1H3
InChIKeyIFLLEVWUHFJGEQ-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.53
Rot. Bonds3

About 4-iodo-1-(2-methoxyethyl)piperidine

4-iodo-1-(2-methoxyethyl)piperidine (PubChem CID 126716491) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-iodo-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name4-iodo-1-(2-methoxyethyl)piperidine
PubChem CID126716491
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name4-iodo-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCC(I)CC1
InChIInChI=1S/C8H16INO/c1-11-7-6-10-4-2-8(9)3-5-10/h8H,2-7H2,1H3
InChIKeyIFLLEVWUHFJGEQ-UHFFFAOYSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.53
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

4-iodo-1-(3-methoxypropyl)piperidine
CID 166738892
4-bromo-1-(2-methoxyethyl)piperidine
CID 80679814
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
CID 106838203
1-(2-methoxyethyl)azocane
CID 47014834
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
N-tert-butyl-1-(2-methoxyethyl)piperidin-4-amine
CID 58365048
ethane;1-(2-methoxyethyl)-4-methylpiperazine;methylcyclopropane
CID 144800701

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(2-methoxyethyl)piperidine?
The IUPAC name of 4-iodo-1-(2-methoxyethyl)piperidine (CID 126716491) is 4-iodo-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 4-iodo-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 4-iodo-1-(2-methoxyethyl)piperidine is COCCN1CCC(I)CC1.
What is the InChIKey of 4-iodo-1-(2-methoxyethyl)piperidine?
The InChIKey is IFLLEVWUHFJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-11-7-6-10-4-2-8(9)3-5-10/h8H,2-7H2,1H3.
What are the key properties of 4-iodo-1-(2-methoxyethyl)piperidine?
4-iodo-1-(2-methoxyethyl)piperidine has a molecular weight of 269.13 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 126716491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).