3-methylidene-1-(oxan-4-yl)piperidine

C11H19NO — CID 131067423

IUPAC3-methylidene-1-(oxan-4-yl)piperidine
SMILESC=C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C11H19NO/c1-10-3-2-6-12(9-10)11-4-7-13-8-5-11/h11H,1-9H2
InChIKeyZGSPSMIQJGDYAJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds1

About 3-methylidene-1-(oxan-4-yl)piperidine

3-methylidene-1-(oxan-4-yl)piperidine (PubChem CID 131067423) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methylidene-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name3-methylidene-1-(oxan-4-yl)piperidine
PubChem CID131067423
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-methylidene-1-(oxan-4-yl)piperidine
SMILESC=C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C11H19NO/c1-10-3-2-6-12(9-10)11-4-7-13-8-5-11/h11H,1-9H2
InChIKeyZGSPSMIQJGDYAJ-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(oxan-4-yl)piperidine?
The IUPAC name of 3-methylidene-1-(oxan-4-yl)piperidine (CID 131067423) is 3-methylidene-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 3-methylidene-1-(oxan-4-yl)piperidine?
The canonical SMILES for 3-methylidene-1-(oxan-4-yl)piperidine is C=C1CCCN(C2CCOCC2)C1.
What is the InChIKey of 3-methylidene-1-(oxan-4-yl)piperidine?
The InChIKey is ZGSPSMIQJGDYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10-3-2-6-12(9-10)11-4-7-13-8-5-11/h11H,1-9H2.
What are the key properties of 3-methylidene-1-(oxan-4-yl)piperidine?
3-methylidene-1-(oxan-4-yl)piperidine has a molecular weight of 181.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 131067423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).