4-iodo-1-(3-methoxypropyl)piperidine

C9H18INO — CID 166738892

IUPAC4-iodo-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCC(I)CC1
InChIInChI=1S/C9H18INO/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8H2,1H3
InChIKeyFMCZQNRMOOEIRK-UHFFFAOYSA-N
MW283.15 g/mol
LogP1.92
Rot. Bonds4

About 4-iodo-1-(3-methoxypropyl)piperidine

4-iodo-1-(3-methoxypropyl)piperidine (PubChem CID 166738892) has the molecular formula C9H18INO and a molecular weight of 283.15 g/mol. Its IUPAC name is 4-iodo-1-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name4-iodo-1-(3-methoxypropyl)piperidine
PubChem CID166738892
Molecular FormulaC9H18INO
Molecular Weight283.15 g/mol
Exact Mass283.04
IUPAC Name4-iodo-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCC(I)CC1
InChIInChI=1S/C9H18INO/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8H2,1H3
InChIKeyFMCZQNRMOOEIRK-UHFFFAOYSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-(2-methoxyethyl)piperidine
CID 126716491
[1-(3-methoxypropyl)piperidin-4-yl] hypoiodite
CID 156546516
1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
CID 141311767
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile
CID 117003584
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 43315586
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
CID 104649772
1-(6-methoxyhexyl)piperidine-4-carboxamide
CID 139907421

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(3-methoxypropyl)piperidine?
The IUPAC name of 4-iodo-1-(3-methoxypropyl)piperidine (CID 166738892) is 4-iodo-1-(3-methoxypropyl)piperidine.
What is the SMILES notation for 4-iodo-1-(3-methoxypropyl)piperidine?
The canonical SMILES for 4-iodo-1-(3-methoxypropyl)piperidine is COCCCN1CCC(I)CC1.
What is the InChIKey of 4-iodo-1-(3-methoxypropyl)piperidine?
The InChIKey is FMCZQNRMOOEIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8H2,1H3.
What are the key properties of 4-iodo-1-(3-methoxypropyl)piperidine?
4-iodo-1-(3-methoxypropyl)piperidine has a molecular weight of 283.15 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(3-methoxypropyl)piperidine is sourced from PubChem (CID 166738892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).