4-(4-iodophenoxy)-1-methylpiperidine

C12H16INO — CID 86710870

IUPAC4-(4-iodophenoxy)-1-methylpiperidine
SMILESCN1CCC(Oc2ccc(I)cc2)CC1
InChIInChI=1S/C12H16INO/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-5,12H,6-9H2,1H3
InChIKeyROETWRYEPPEZBA-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.76
Rot. Bonds2

About 4-(4-iodophenoxy)-1-methylpiperidine

4-(4-iodophenoxy)-1-methylpiperidine (PubChem CID 86710870) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 4-(4-iodophenoxy)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-iodophenoxy)-1-methylpiperidine
PubChem CID86710870
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name4-(4-iodophenoxy)-1-methylpiperidine
SMILESCN1CCC(Oc2ccc(I)cc2)CC1
InChIInChI=1S/C12H16INO/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-5,12H,6-9H2,1H3
InChIKeyROETWRYEPPEZBA-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine
CID 18723191
4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
CID 90260319
1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine
CID 134126073
4-(4-iodophenoxy)piperidine
CID 53409910
CID 140799111
CID 140799111
N-methoxy-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]methanamine
CID 115005034
5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292
2-bromo-5-(1-methylpiperidin-4-yl)oxypyridine
CID 129202847
1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
CID 64736506

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenoxy)-1-methylpiperidine?
The IUPAC name of 4-(4-iodophenoxy)-1-methylpiperidine (CID 86710870) is 4-(4-iodophenoxy)-1-methylpiperidine.
What is the SMILES notation for 4-(4-iodophenoxy)-1-methylpiperidine?
The canonical SMILES for 4-(4-iodophenoxy)-1-methylpiperidine is CN1CCC(Oc2ccc(I)cc2)CC1.
What is the InChIKey of 4-(4-iodophenoxy)-1-methylpiperidine?
The InChIKey is ROETWRYEPPEZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-5,12H,6-9H2,1H3.
What are the key properties of 4-(4-iodophenoxy)-1-methylpiperidine?
4-(4-iodophenoxy)-1-methylpiperidine has a molecular weight of 317.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenoxy)-1-methylpiperidine is sourced from PubChem (CID 86710870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).