4-but-3-enoxy-1-iodopiperidine

C9H16INO — CID 163745656

IUPAC4-but-3-enoxy-1-iodopiperidine
SMILESC=CCCOC1CCN(I)CC1
InChIInChI=1S/C9H16INO/c1-2-3-8-12-9-4-6-11(10)7-5-9/h2,9H,1,3-8H2
InChIKeyLLQCOLGTXMSOFB-UHFFFAOYSA-N
MW281.14 g/mol
LogP2.39
Rot. Bonds4

About 4-but-3-enoxy-1-iodopiperidine

4-but-3-enoxy-1-iodopiperidine (PubChem CID 163745656) has the molecular formula C9H16INO and a molecular weight of 281.14 g/mol. Its IUPAC name is 4-but-3-enoxy-1-iodopiperidine.

Molecular Properties

Compound Name4-but-3-enoxy-1-iodopiperidine
PubChem CID163745656
Molecular FormulaC9H16INO
Molecular Weight281.14 g/mol
Exact Mass281.03
IUPAC Name4-but-3-enoxy-1-iodopiperidine
SMILESC=CCCOC1CCN(I)CC1
InChIInChI=1S/C9H16INO/c1-2-3-8-12-9-4-6-11(10)7-5-9/h2,9H,1,3-8H2
InChIKeyLLQCOLGTXMSOFB-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-1-iodopiperidine?
The IUPAC name of 4-but-3-enoxy-1-iodopiperidine (CID 163745656) is 4-but-3-enoxy-1-iodopiperidine.
What is the SMILES notation for 4-but-3-enoxy-1-iodopiperidine?
The canonical SMILES for 4-but-3-enoxy-1-iodopiperidine is C=CCCOC1CCN(I)CC1.
What is the InChIKey of 4-but-3-enoxy-1-iodopiperidine?
The InChIKey is LLQCOLGTXMSOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO/c1-2-3-8-12-9-4-6-11(10)7-5-9/h2,9H,1,3-8H2.
What are the key properties of 4-but-3-enoxy-1-iodopiperidine?
4-but-3-enoxy-1-iodopiperidine has a molecular weight of 281.14 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-1-iodopiperidine is sourced from PubChem (CID 163745656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).