4-ethenoxy-1-methylpiperidine

C8H15NO — CID 20517971

IUPAC4-ethenoxy-1-methylpiperidine
SMILESC=COC1CCN(C)CC1
InChIInChI=1S/C8H15NO/c1-3-10-8-4-6-9(2)7-5-8/h3,8H,1,4-7H2,2H3
InChIKeyLZWFFUDEUMURTO-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.24
Rot. Bonds2

About 4-ethenoxy-1-methylpiperidine

4-ethenoxy-1-methylpiperidine (PubChem CID 20517971) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-ethenoxy-1-methylpiperidine.

Molecular Properties

Compound Name4-ethenoxy-1-methylpiperidine
PubChem CID20517971
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-ethenoxy-1-methylpiperidine
SMILESC=COC1CCN(C)CC1
InChIInChI=1S/C8H15NO/c1-3-10-8-4-6-9(2)7-5-8/h3,8H,1,4-7H2,2H3
InChIKeyLZWFFUDEUMURTO-UHFFFAOYSA-N
XLogP1.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.24
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-methylpiperidine?
The IUPAC name of 4-ethenoxy-1-methylpiperidine (CID 20517971) is 4-ethenoxy-1-methylpiperidine.
What is the SMILES notation for 4-ethenoxy-1-methylpiperidine?
The canonical SMILES for 4-ethenoxy-1-methylpiperidine is C=COC1CCN(C)CC1.
What is the InChIKey of 4-ethenoxy-1-methylpiperidine?
The InChIKey is LZWFFUDEUMURTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-10-8-4-6-9(2)7-5-8/h3,8H,1,4-7H2,2H3.
What are the key properties of 4-ethenoxy-1-methylpiperidine?
4-ethenoxy-1-methylpiperidine has a molecular weight of 141.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-1-methylpiperidine is sourced from PubChem (CID 20517971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).