4-ethenoxy-1-ethylpiperidine

C9H17NO — CID 59825176

IUPAC4-ethenoxy-1-ethylpiperidine
SMILESC=COC1CCN(CC)CC1
InChIInChI=1S/C9H17NO/c1-3-10-7-5-9(6-8-10)11-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeySXIJKRRVHVKEFC-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds3

About 4-ethenoxy-1-ethylpiperidine

4-ethenoxy-1-ethylpiperidine (PubChem CID 59825176) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-ethenoxy-1-ethylpiperidine.

Molecular Properties

Compound Name4-ethenoxy-1-ethylpiperidine
PubChem CID59825176
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-ethenoxy-1-ethylpiperidine
SMILESC=COC1CCN(CC)CC1
InChIInChI=1S/C9H17NO/c1-3-10-7-5-9(6-8-10)11-4-2/h4,9H,2-3,5-8H2,1H3
InChIKeySXIJKRRVHVKEFC-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-1-ethylpiperidine?
The IUPAC name of 4-ethenoxy-1-ethylpiperidine (CID 59825176) is 4-ethenoxy-1-ethylpiperidine.
What is the SMILES notation for 4-ethenoxy-1-ethylpiperidine?
The canonical SMILES for 4-ethenoxy-1-ethylpiperidine is C=COC1CCN(CC)CC1.
What is the InChIKey of 4-ethenoxy-1-ethylpiperidine?
The InChIKey is SXIJKRRVHVKEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10-7-5-9(6-8-10)11-4-2/h4,9H,2-3,5-8H2,1H3.
What are the key properties of 4-ethenoxy-1-ethylpiperidine?
4-ethenoxy-1-ethylpiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1-ethylpiperidine is sourced from PubChem (CID 59825176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).