2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite

C11H23IN4O — CID 166946196

IUPAC2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite
SMILESNN1CCC(N2CCN(CCOI)CC2)CC1
InChIInChI=1S/C11H23IN4O/c12-17-10-9-14-5-7-15(8-6-14)11-1-3-16(13)4-2-11/h11H,1-10,13H2
InChIKeyFSOKJPMYOJUHKS-UHFFFAOYSA-N
MW354.24 g/mol
LogP0.31
Rot. Bonds4

About 2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite

2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite (PubChem CID 166946196) has the molecular formula C11H23IN4O and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite.

Molecular Properties

Compound Name2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite
PubChem CID166946196
Molecular FormulaC11H23IN4O
Molecular Weight354.24 g/mol
Exact Mass354.09
IUPAC Name2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite
SMILESNN1CCC(N2CCN(CCOI)CC2)CC1
InChIInChI=1S/C11H23IN4O/c12-17-10-9-14-5-7-15(8-6-14)11-1-3-16(13)4-2-11/h11H,1-10,13H2
InChIKeyFSOKJPMYOJUHKS-UHFFFAOYSA-N
XLogP0.31
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]piperidin-1-amine
CID 167027444
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
2-(4-methylpiperazin-1-yl)ethyl hypoiodite
CID 139514479
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
4-(1-methylpyrrolidin-3-yl)piperazin-1-amine
CID 177318483
1-(1-iodopiperidin-4-yl)-4-propylpiperazine
CID 170084065
2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine
CID 112739137
2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58135935
1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 176568970
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]ethanamine
CID 117044687
3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
CID 12043292
1-(2-chloroethyl)-4-cyclopentylpiperazine
CID 4741622

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite?
The IUPAC name of 2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite (CID 166946196) is 2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite.
What is the SMILES notation for 2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite?
The canonical SMILES for 2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite is NN1CCC(N2CCN(CCOI)CC2)CC1.
What is the InChIKey of 2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite?
The InChIKey is FSOKJPMYOJUHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23IN4O/c12-17-10-9-14-5-7-15(8-6-14)11-1-3-16(13)4-2-11/h11H,1-10,13H2.
What are the key properties of 2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite?
2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite has a molecular weight of 354.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite is sourced from PubChem (CID 166946196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).