4-(oxan-4-ylmethylidene)piperidine

C11H19NO — CID 79879240

IUPAC4-(oxan-4-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)C1CCOCC1
InChIInChI=1S/C11H19NO/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h9,11-12H,1-8H2
InChIKeyJKKBQMVBJBARLV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds1

About 4-(oxan-4-ylmethylidene)piperidine

4-(oxan-4-ylmethylidene)piperidine (PubChem CID 79879240) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(oxan-4-ylmethylidene)piperidine.

Molecular Properties

Compound Name4-(oxan-4-ylmethylidene)piperidine
PubChem CID79879240
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(oxan-4-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)C1CCOCC1
InChIInChI=1S/C11H19NO/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h9,11-12H,1-8H2
InChIKeyJKKBQMVBJBARLV-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 4-(oxan-4-ylmethylidene)piperidine?
The IUPAC name of 4-(oxan-4-ylmethylidene)piperidine (CID 79879240) is 4-(oxan-4-ylmethylidene)piperidine.
What is the SMILES notation for 4-(oxan-4-ylmethylidene)piperidine?
The canonical SMILES for 4-(oxan-4-ylmethylidene)piperidine is C(=C1CCNCC1)C1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylmethylidene)piperidine?
The InChIKey is JKKBQMVBJBARLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h9,11-12H,1-8H2.
What are the key properties of 4-(oxan-4-ylmethylidene)piperidine?
4-(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 4-(oxan-4-ylmethylidene)piperidine is sourced from PubChem (CID 79879240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).