[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite

C8H13IN2O — CID 138600618

IUPAC[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
SMILESN#CCCN1CCC(OI)CC1
InChIInChI=1S/C8H13IN2O/c9-12-8-2-6-11(7-3-8)5-1-4-10/h8H,1-3,5-7H2
InChIKeyRYEZPVZBTPRKOY-UHFFFAOYSA-N
MW280.11 g/mol
LogP1.73
Rot. Bonds3

About [1-(2-cyanoethyl)piperidin-4-yl] hypoiodite

[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite (PubChem CID 138600618) has the molecular formula C8H13IN2O and a molecular weight of 280.11 g/mol. Its IUPAC name is [1-(2-cyanoethyl)piperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
PubChem CID138600618
Molecular FormulaC8H13IN2O
Molecular Weight280.11 g/mol
Exact Mass280.01
IUPAC Name[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
SMILESN#CCCN1CCC(OI)CC1
InChIInChI=1S/C8H13IN2O/c9-12-8-2-6-11(7-3-8)5-1-4-10/h8H,1-3,5-7H2
InChIKeyRYEZPVZBTPRKOY-UHFFFAOYSA-N
XLogP1.73
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 51.73
H-Bond Donors ≤ 50
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-(2-cyanoethyl)piperidin-4-yl] hypoiodite?
The IUPAC name of [1-(2-cyanoethyl)piperidin-4-yl] hypoiodite (CID 138600618) is [1-(2-cyanoethyl)piperidin-4-yl] hypoiodite.
What is the SMILES notation for [1-(2-cyanoethyl)piperidin-4-yl] hypoiodite?
The canonical SMILES for [1-(2-cyanoethyl)piperidin-4-yl] hypoiodite is N#CCCN1CCC(OI)CC1.
What is the InChIKey of [1-(2-cyanoethyl)piperidin-4-yl] hypoiodite?
The InChIKey is RYEZPVZBTPRKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN2O/c9-12-8-2-6-11(7-3-8)5-1-4-10/h8H,1-3,5-7H2.
What are the key properties of [1-(2-cyanoethyl)piperidin-4-yl] hypoiodite?
[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite has a molecular weight of 280.11 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyanoethyl)piperidin-4-yl] hypoiodite is sourced from PubChem (CID 138600618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).