5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite

C17H33IN2O3 — CID 166694777

IUPAC5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite
SMILESCCCCOCCCC(=O)N1CCN(CCCCCOI)CC1
InChIInChI=1S/C17H33IN2O3/c1-2-3-14-22-15-7-8-17(21)20-12-10-19(11-13-20)9-5-4-6-16-23-18/h2-16H2,1H3
InChIKeyRLHDADZDLUPCQZ-UHFFFAOYSA-N
MW440.37 g/mol
LogP3.26
Rot. Bonds13

About 5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite

5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite (PubChem CID 166694777) has the molecular formula C17H33IN2O3 and a molecular weight of 440.37 g/mol. Its IUPAC name is 5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite.

Molecular Properties

Compound Name5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite
PubChem CID166694777
Molecular FormulaC17H33IN2O3
Molecular Weight440.37 g/mol
Exact Mass440.15
IUPAC Name5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite
SMILESCCCCOCCCC(=O)N1CCN(CCCCCOI)CC1
InChIInChI=1S/C17H33IN2O3/c1-2-3-14-22-15-7-8-17(21)20-12-10-19(11-13-20)9-5-4-6-16-23-18/h2-16H2,1H3
InChIKeyRLHDADZDLUPCQZ-UHFFFAOYSA-N
XLogP3.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976
4-[2-[2-(6-ethoxyhexoxy)ethoxy]ethoxy]-1-(4-methylpiperazin-1-yl)butan-1-one
CID 170000941
1-[4-(2-hydroxyethyl)piperazin-1-yl]decan-1-one
CID 43417107
1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
CID 65449474
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
1-(5-butoxypentyl)piperidin-4-one
CID 18001872
1-(6-butoxyhexyl)piperidin-4-one
CID 70277022
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one
CID 166112079

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite?
The IUPAC name of 5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite (CID 166694777) is 5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite.
What is the SMILES notation for 5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite?
The canonical SMILES for 5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite is CCCCOCCCC(=O)N1CCN(CCCCCOI)CC1.
What is the InChIKey of 5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite?
The InChIKey is RLHDADZDLUPCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33IN2O3/c1-2-3-14-22-15-7-8-17(21)20-12-10-19(11-13-20)9-5-4-6-16-23-18/h2-16H2,1H3.
What are the key properties of 5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite?
5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite has a molecular weight of 440.37 g/mol, XLogP of 3.26, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-butoxybutanoyl)piperazin-1-yl]pentyl hypoiodite is sourced from PubChem (CID 166694777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).