[3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite

C9H18INO2 — CID 146536290

IUPAC[3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite
SMILESCN1CCC(C(CO)COI)CC1
InChIInChI=1S/C9H18INO2/c1-11-4-2-8(3-5-11)9(6-12)7-13-10/h8-9,12H,2-7H2,1H3
InChIKeyROKKKGIWNWCQCB-UHFFFAOYSA-N
MW299.15 g/mol
LogP1.30
Rot. Bonds4

About [3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite

[3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite (PubChem CID 146536290) has the molecular formula C9H18INO2 and a molecular weight of 299.15 g/mol. Its IUPAC name is [3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite.

Molecular Properties

Compound Name[3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite
PubChem CID146536290
Molecular FormulaC9H18INO2
Molecular Weight299.15 g/mol
Exact Mass299.04
IUPAC Name[3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite
SMILESCN1CCC(C(CO)COI)CC1
InChIInChI=1S/C9H18INO2/c1-11-4-2-8(3-5-11)9(6-12)7-13-10/h8-9,12H,2-7H2,1H3
InChIKeyROKKKGIWNWCQCB-UHFFFAOYSA-N
XLogP1.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol
CID 117239023
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117239219
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 117239159
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799
1-(1-methylpiperidin-4-yl)-2-sulfanylethanol
CID 117238993
2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine
CID 117239456
(1-methylpiperidin-4-yl)methanediol
CID 21366498
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propan-1-ol
CID 170321854
2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol
CID 115008578
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite?
The IUPAC name of [3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite (CID 146536290) is [3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite.
What is the SMILES notation for [3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite?
The canonical SMILES for [3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite is CN1CCC(C(CO)COI)CC1.
What is the InChIKey of [3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite?
The InChIKey is ROKKKGIWNWCQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO2/c1-11-4-2-8(3-5-11)9(6-12)7-13-10/h8-9,12H,2-7H2,1H3.
What are the key properties of [3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite?
[3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite has a molecular weight of 299.15 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite is sourced from PubChem (CID 146536290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).