3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite

C8H15FINO2 — CID 139447093

IUPAC3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite
SMILESO[C@H]1CCN(CCCOI)C[C@@H]1F
InChIInChI=1S/C8H15FINO2/c9-7-6-11(3-1-5-13-10)4-2-8(7)12/h7-8,12H,1-6H2/t7-,8-/m0/s1
InChIKeyDXMDSQLHURYOOH-YUMQZZPRSA-N
MW303.12 g/mol
LogP1.15
Rot. Bonds4

About 3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite

3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite (PubChem CID 139447093) has the molecular formula C8H15FINO2 and a molecular weight of 303.12 g/mol. Its IUPAC name is 3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite.

Molecular Properties

Compound Name3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite
PubChem CID139447093
Molecular FormulaC8H15FINO2
Molecular Weight303.12 g/mol
Exact Mass303.01
IUPAC Name3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite
SMILESO[C@H]1CCN(CCCOI)C[C@@H]1F
InChIInChI=1S/C8H15FINO2/c9-7-6-11(3-1-5-13-10)4-2-8(7)12/h7-8,12H,1-6H2/t7-,8-/m0/s1
InChIKeyDXMDSQLHURYOOH-YUMQZZPRSA-N
XLogP1.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
CID 67202820
1-ethyl-3-fluoropiperidin-4-ol
CID 58266532
(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
CID 176977042
(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol
CID 70949431
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
CID 45156784
3-[(3R)-1-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]propoxy]ethyl]pyrrolidin-3-yl]propyl hypoiodite
CID 167067655
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate
CID 129492978
methyl (3R,4R)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate
CID 129492975
4-(aminomethyl)-1-(3-hydroxypropyl)piperidin-3-ol
CID 76695388
(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
CID 124862124

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite?
The IUPAC name of 3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite (CID 139447093) is 3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite.
What is the SMILES notation for 3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite?
The canonical SMILES for 3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite is O[C@H]1CCN(CCCOI)C[C@@H]1F.
What is the InChIKey of 3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite?
The InChIKey is DXMDSQLHURYOOH-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15FINO2/c9-7-6-11(3-1-5-13-10)4-2-8(7)12/h7-8,12H,1-6H2/t7-,8-/m0/s1.
What are the key properties of 3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite?
3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite has a molecular weight of 303.12 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite is sourced from PubChem (CID 139447093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).