[1-(3-methoxypropyl)piperidin-4-yl] hypoiodite

C9H18INO2 — CID 156546516

IUPAC[1-(3-methoxypropyl)piperidin-4-yl] hypoiodite
SMILESCOCCCN1CCC(OI)CC1
InChIInChI=1S/C9H18INO2/c1-12-8-2-5-11-6-3-9(13-10)4-7-11/h9H,2-8H2,1H3
InChIKeyBPMVPCINGPYDCA-UHFFFAOYSA-N
MW299.15 g/mol
LogP1.85
Rot. Bonds5

About [1-(3-methoxypropyl)piperidin-4-yl] hypoiodite

[1-(3-methoxypropyl)piperidin-4-yl] hypoiodite (PubChem CID 156546516) has the molecular formula C9H18INO2 and a molecular weight of 299.15 g/mol. Its IUPAC name is [1-(3-methoxypropyl)piperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[1-(3-methoxypropyl)piperidin-4-yl] hypoiodite
PubChem CID156546516
Molecular FormulaC9H18INO2
Molecular Weight299.15 g/mol
Exact Mass299.04
IUPAC Name[1-(3-methoxypropyl)piperidin-4-yl] hypoiodite
SMILESCOCCCN1CCC(OI)CC1
InChIInChI=1S/C9H18INO2/c1-12-8-2-5-11-6-3-9(13-10)4-7-11/h9H,2-8H2,1H3
InChIKeyBPMVPCINGPYDCA-UHFFFAOYSA-N
XLogP1.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-iodo-1-(3-methoxypropyl)piperidine
CID 166738892
1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
CID 141311767
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile
CID 117003584
1-(6-methoxyhexyl)piperidine-4-carboxamide
CID 139907421
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 43315586
4-iodo-1-(2-methoxyethyl)piperidine
CID 126716491
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
CID 138600618

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxypropyl)piperidin-4-yl] hypoiodite?
The IUPAC name of [1-(3-methoxypropyl)piperidin-4-yl] hypoiodite (CID 156546516) is [1-(3-methoxypropyl)piperidin-4-yl] hypoiodite.
What is the SMILES notation for [1-(3-methoxypropyl)piperidin-4-yl] hypoiodite?
The canonical SMILES for [1-(3-methoxypropyl)piperidin-4-yl] hypoiodite is COCCCN1CCC(OI)CC1.
What is the InChIKey of [1-(3-methoxypropyl)piperidin-4-yl] hypoiodite?
The InChIKey is BPMVPCINGPYDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO2/c1-12-8-2-5-11-6-3-9(13-10)4-7-11/h9H,2-8H2,1H3.
What are the key properties of [1-(3-methoxypropyl)piperidin-4-yl] hypoiodite?
[1-(3-methoxypropyl)piperidin-4-yl] hypoiodite has a molecular weight of 299.15 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropyl)piperidin-4-yl] hypoiodite is sourced from PubChem (CID 156546516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).