[1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite

C10H17IN2O3 — CID 156798881

IUPAC[1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite
SMILESO=C(COC1CCNCC1)N1CC(OI)C1
InChIInChI=1S/C10H17IN2O3/c11-16-9-5-13(6-9)10(14)7-15-8-1-3-12-4-2-8/h8-9,12H,1-7H2
InChIKeyYIWSNTNLJVFOQZ-UHFFFAOYSA-N
MW340.16 g/mol
LogP0.33
Rot. Bonds4

About [1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite

[1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite (PubChem CID 156798881) has the molecular formula C10H17IN2O3 and a molecular weight of 340.16 g/mol. Its IUPAC name is [1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite.

Molecular Properties

Compound Name[1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite
PubChem CID156798881
Molecular FormulaC10H17IN2O3
Molecular Weight340.16 g/mol
Exact Mass340.03
IUPAC Name[1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite
SMILESO=C(COC1CCNCC1)N1CC(OI)C1
InChIInChI=1S/C10H17IN2O3/c11-16-9-5-13(6-9)10(14)7-15-8-1-3-12-4-2-8/h8-9,12H,1-7H2
InChIKeyYIWSNTNLJVFOQZ-UHFFFAOYSA-N
XLogP0.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite?
The IUPAC name of [1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite (CID 156798881) is [1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite.
What is the SMILES notation for [1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite?
The canonical SMILES for [1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite is O=C(COC1CCNCC1)N1CC(OI)C1.
What is the InChIKey of [1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite?
The InChIKey is YIWSNTNLJVFOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN2O3/c11-16-9-5-13(6-9)10(14)7-15-8-1-3-12-4-2-8/h8-9,12H,1-7H2.
What are the key properties of [1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite?
[1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite has a molecular weight of 340.16 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite is sourced from PubChem (CID 156798881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).