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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Related Compounds

1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine
CID 144629681
3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine
CID 141404874
(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 129411689
2-[(2R,4R)-1-[4-[(3R,4R)-1-(2-fluoro-5-methoxyphenyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]acetic acid
CID 171342065
2-[(2S,4R)-4-fluoro-1-[4-[1-(2-fluoro-5-methoxyphenyl)-3-methylpiperidin-4-yl]oxyphenyl]pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 75202606
1-(2-fluoro-5-methoxyphenyl)piperidin-4-ol
CID 70198128
2-chloro-5-[(3S,4R)-1-(5-ethoxy-2-fluorophenyl)-3-methylpiperidin-4-yl]oxypyrazine
CID 118498518
2-[(2S,3R,4R)-1-[4-[1-(5-ethoxy-2-fluorophenyl)-3-methylpiperidin-4-yl]oxyphenyl]-3,4-dimethylpyrrolidin-2-yl]acetic acid
CID 130252387
2-[(2R,4R)-4-(difluoromethoxy)-1-[4-[(3R,4R)-1-(5-ethoxy-2-fluorophenyl)-3-methylpiperidin-4-yl]oxyphenyl]pyrrolidin-2-yl]acetic acid
CID 171352410
2-[(2R,4R)-1-[4-[1-(5-methoxy-2-methylphenyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid
CID 130252547
5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine
CID 118497284
tert-butyl-[(3R,4S)-1-(2,3-difluoro-5-methoxyphenyl)-3-methylpiperidin-4-yl]oxy-dimethylsilane
CID 90151407

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).