(4-benzylpiperazin-1-yl) hypoiodite

C11H15IN2O — CID 144778500

IUPAC(4-benzylpiperazin-1-yl) hypoiodite
SMILESION1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C11H15IN2O/c12-15-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyQSBAVQUKPQKIRW-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.09
Rot. Bonds3

About (4-benzylpiperazin-1-yl) hypoiodite

(4-benzylpiperazin-1-yl) hypoiodite (PubChem CID 144778500) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl) hypoiodite.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl) hypoiodite
PubChem CID144778500
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name(4-benzylpiperazin-1-yl) hypoiodite
SMILESION1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C11H15IN2O/c12-15-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyQSBAVQUKPQKIRW-UHFFFAOYSA-N
XLogP2.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
[4-[(4-methylphenyl)methyl]piperazin-1-yl] hypoiodite
CID 131966181
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-(trifluoromethoxy)piperazine
CID 134348799
1-benzylazepane
CID 10954328
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-benzyl-4-sulfanylpiperazine;ethane
CID 171536201
1-benzylpyrrolidine;propane
CID 143692089
1-benzyl-4-cyclopropylpiperazine
CID 69195043
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1-benzyl-4-tert-butylpiperazine
CID 3591937

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl) hypoiodite?
The IUPAC name of (4-benzylpiperazin-1-yl) hypoiodite (CID 144778500) is (4-benzylpiperazin-1-yl) hypoiodite.
What is the SMILES notation for (4-benzylpiperazin-1-yl) hypoiodite?
The canonical SMILES for (4-benzylpiperazin-1-yl) hypoiodite is ION1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl) hypoiodite?
The InChIKey is QSBAVQUKPQKIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c12-15-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of (4-benzylpiperazin-1-yl) hypoiodite?
(4-benzylpiperazin-1-yl) hypoiodite has a molecular weight of 318.16 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl) hypoiodite is sourced from PubChem (CID 144778500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).