(1-piperidin-4-ylazetidin-3-yl) hypoiodite

C8H15IN2O — CID 167218102

IUPAC(1-piperidin-4-ylazetidin-3-yl) hypoiodite
SMILESIOC1CN(C2CCNCC2)C1
InChIInChI=1S/C8H15IN2O/c9-12-8-5-11(6-8)7-1-3-10-4-2-7/h7-8,10H,1-6H2
InChIKeyMKRRIQHFIYVMCF-UHFFFAOYSA-N
MW282.13 g/mol
LogP0.79
Rot. Bonds2

About (1-piperidin-4-ylazetidin-3-yl) hypoiodite

(1-piperidin-4-ylazetidin-3-yl) hypoiodite (PubChem CID 167218102) has the molecular formula C8H15IN2O and a molecular weight of 282.13 g/mol. Its IUPAC name is (1-piperidin-4-ylazetidin-3-yl) hypoiodite.

Molecular Properties

Compound Name(1-piperidin-4-ylazetidin-3-yl) hypoiodite
PubChem CID167218102
Molecular FormulaC8H15IN2O
Molecular Weight282.13 g/mol
Exact Mass282.02
IUPAC Name(1-piperidin-4-ylazetidin-3-yl) hypoiodite
SMILESIOC1CN(C2CCNCC2)C1
InChIInChI=1S/C8H15IN2O/c9-12-8-5-11(6-8)7-1-3-10-4-2-7/h7-8,10H,1-6H2
InChIKeyMKRRIQHFIYVMCF-UHFFFAOYSA-N
XLogP0.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-piperidin-4-ylazetidin-3-yl) hypoiodite?
The IUPAC name of (1-piperidin-4-ylazetidin-3-yl) hypoiodite (CID 167218102) is (1-piperidin-4-ylazetidin-3-yl) hypoiodite.
What is the SMILES notation for (1-piperidin-4-ylazetidin-3-yl) hypoiodite?
The canonical SMILES for (1-piperidin-4-ylazetidin-3-yl) hypoiodite is IOC1CN(C2CCNCC2)C1.
What is the InChIKey of (1-piperidin-4-ylazetidin-3-yl) hypoiodite?
The InChIKey is MKRRIQHFIYVMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2O/c9-12-8-5-11(6-8)7-1-3-10-4-2-7/h7-8,10H,1-6H2.
What are the key properties of (1-piperidin-4-ylazetidin-3-yl) hypoiodite?
(1-piperidin-4-ylazetidin-3-yl) hypoiodite has a molecular weight of 282.13 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-4-ylazetidin-3-yl) hypoiodite is sourced from PubChem (CID 167218102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).