(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite

C9H18INO2 — CID 155039158

IUPAC(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite
SMILESCC(C)N1CCC(O)(COI)CC1
InChIInChI=1S/C9H18INO2/c1-8(2)11-5-3-9(12,4-6-11)7-13-10/h8,12H,3-7H2,1-2H3
InChIKeyXRARMCHMKMPAEI-UHFFFAOYSA-N
MW299.15 g/mol
LogP1.59
Rot. Bonds3

About (4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite

(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite (PubChem CID 155039158) has the molecular formula C9H18INO2 and a molecular weight of 299.15 g/mol. Its IUPAC name is (4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite.

Molecular Properties

Compound Name(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite
PubChem CID155039158
Molecular FormulaC9H18INO2
Molecular Weight299.15 g/mol
Exact Mass299.04
IUPAC Name(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite
SMILESCC(C)N1CCC(O)(COI)CC1
InChIInChI=1S/C9H18INO2/c1-8(2)11-5-3-9(12,4-6-11)7-13-10/h8,12H,3-7H2,1-2H3
InChIKeyXRARMCHMKMPAEI-UHFFFAOYSA-N
XLogP1.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 51.59
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

1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 79567229
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
4-(2-cyclopropylethyl)-1-propan-2-ylpiperidin-4-ol
CID 106590391
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82713423
4-nonyl-1-propan-2-ylpiperidin-4-ol
CID 65146910
1-propan-2-yl-4-prop-2-enylazepan-4-ol
CID 79734491
3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82503311
4-(3,3-dimethylbutyl)-1-propan-2-ylazepan-4-ol
CID 65154256
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 60895688
N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 146107032

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite?
The IUPAC name of (4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite (CID 155039158) is (4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite.
What is the SMILES notation for (4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite?
The canonical SMILES for (4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite is CC(C)N1CCC(O)(COI)CC1.
What is the InChIKey of (4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite?
The InChIKey is XRARMCHMKMPAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO2/c1-8(2)11-5-3-9(12,4-6-11)7-13-10/h8,12H,3-7H2,1-2H3.
What are the key properties of (4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite?
(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite has a molecular weight of 299.15 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite is sourced from PubChem (CID 155039158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).