1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine

C19H21FINO2 — CID 142726683

IUPAC1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine
SMILESCOc1ccc(F)c(N2CCC(Oc3ccc(I)cc3)C(C)C2)c1
InChIInChI=1S/C19H21FINO2/c1-13-12-22(18-11-16(23-2)7-8-17(18)20)10-9-19(13)24-15-5-3-14(21)4-6-15/h3-8,11,13,19H,9-10,12H2,1-2H3
InChIKeyVHMMJSWJFVZBKP-UHFFFAOYSA-N
MW441.28 g/mol
LogP4.73
Rot. Bonds4

About 1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine

1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine (PubChem CID 142726683) has the molecular formula C19H21FINO2 and a molecular weight of 441.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine
PubChem CID142726683
Molecular FormulaC19H21FINO2
Molecular Weight441.28 g/mol
Exact Mass441.06
IUPAC Name1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine
SMILESCOc1ccc(F)c(N2CCC(Oc3ccc(I)cc3)C(C)C2)c1
InChIInChI=1S/C19H21FINO2/c1-13-12-22(18-11-16(23-2)7-8-17(18)20)10-9-19(13)24-15-5-3-14(21)4-6-15/h3-8,11,13,19H,9-10,12H2,1-2H3
InChIKeyVHMMJSWJFVZBKP-UHFFFAOYSA-N
XLogP4.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.28
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine?
The IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine (CID 142726683) is 1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine.
What is the SMILES notation for 1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine?
The canonical SMILES for 1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine is COc1ccc(F)c(N2CCC(Oc3ccc(I)cc3)C(C)C2)c1.
What is the InChIKey of 1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine?
The InChIKey is VHMMJSWJFVZBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FINO2/c1-13-12-22(18-11-16(23-2)7-8-17(18)20)10-9-19(13)24-15-5-3-14(21)4-6-15/h3-8,11,13,19H,9-10,12H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine?
1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine has a molecular weight of 441.28 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine is sourced from PubChem (CID 142726683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).