[1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite

C16H24INO3 — CID 155089059

IUPAC[1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite
SMILESO=C(CC1CC2C=CC1C2)N1CCC(CO)(COI)CC1
InChIInChI=1S/C16H24INO3/c17-21-11-16(10-19)3-5-18(6-4-16)15(20)9-14-8-12-1-2-13(14)7-12/h1-2,12-14,19H,3-11H2
InChIKeyVFWMUNGCRAARPZ-UHFFFAOYSA-N
MW405.28 g/mol
LogP2.56
Rot. Bonds5

About [1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite

[1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite (PubChem CID 155089059) has the molecular formula C16H24INO3 and a molecular weight of 405.28 g/mol. Its IUPAC name is [1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite.

Molecular Properties

Compound Name[1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite
PubChem CID155089059
Molecular FormulaC16H24INO3
Molecular Weight405.28 g/mol
Exact Mass405.08
IUPAC Name[1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite
SMILESO=C(CC1CC2C=CC1C2)N1CCC(CO)(COI)CC1
InChIInChI=1S/C16H24INO3/c17-21-11-16(10-19)3-5-18(6-4-16)15(20)9-14-8-12-1-2-13(14)7-12/h1-2,12-14,19H,3-11H2
InChIKeyVFWMUNGCRAARPZ-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite?
The IUPAC name of [1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite (CID 155089059) is [1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite.
What is the SMILES notation for [1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite?
The canonical SMILES for [1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite is O=C(CC1CC2C=CC1C2)N1CCC(CO)(COI)CC1.
What is the InChIKey of [1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite?
The InChIKey is VFWMUNGCRAARPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24INO3/c17-21-11-16(10-19)3-5-18(6-4-16)15(20)9-14-8-12-1-2-13(14)7-12/h1-2,12-14,19H,3-11H2.
What are the key properties of [1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite?
[1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite has a molecular weight of 405.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-bicyclo[2.2.1]hept-5-enyl)acetyl]-4-(hydroxymethyl)piperidin-4-yl]methyl hypoiodite is sourced from PubChem (CID 155089059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).