3-(oxan-4-ylmethylidene)piperidine

C11H19NO — CID 79880717

IUPAC3-(oxan-4-ylmethylidene)piperidine
SMILESC(=C1CCCNC1)C1CCOCC1
InChIInChI=1S/C11H19NO/c1-2-11(9-12-5-1)8-10-3-6-13-7-4-10/h8,10,12H,1-7,9H2
InChIKeyMKUFLCLRUHHGNA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds1

About 3-(oxan-4-ylmethylidene)piperidine

3-(oxan-4-ylmethylidene)piperidine (PubChem CID 79880717) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(oxan-4-ylmethylidene)piperidine.

Molecular Properties

Compound Name3-(oxan-4-ylmethylidene)piperidine
PubChem CID79880717
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(oxan-4-ylmethylidene)piperidine
SMILESC(=C1CCCNC1)C1CCOCC1
InChIInChI=1S/C11H19NO/c1-2-11(9-12-5-1)8-10-3-6-13-7-4-10/h8,10,12H,1-7,9H2
InChIKeyMKUFLCLRUHHGNA-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
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-(oxan-4-ylmethylidene)piperidine?
The IUPAC name of 3-(oxan-4-ylmethylidene)piperidine (CID 79880717) is 3-(oxan-4-ylmethylidene)piperidine.
What is the SMILES notation for 3-(oxan-4-ylmethylidene)piperidine?
The canonical SMILES for 3-(oxan-4-ylmethylidene)piperidine is C(=C1CCCNC1)C1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethylidene)piperidine?
The InChIKey is MKUFLCLRUHHGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-11(9-12-5-1)8-10-3-6-13-7-4-10/h8,10,12H,1-7,9H2.
What are the key properties of 3-(oxan-4-ylmethylidene)piperidine?
3-(oxan-4-ylmethylidene)piperidine has a molecular weight of 181.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethylidene)piperidine is sourced from PubChem (CID 79880717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).