2-[1-(oxan-4-ylidene)ethyl]piperidine

C12H21NO — CID 131182384

IUPAC2-[1-(oxan-4-ylidene)ethyl]piperidine
SMILESCC(=C1CCOCC1)C1CCCCN1
InChIInChI=1S/C12H21NO/c1-10(11-5-8-14-9-6-11)12-4-2-3-7-13-12/h12-13H,2-9H2,1H3
InChIKeyFLSLEWVIJBCERQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds1

About 2-[1-(oxan-4-ylidene)ethyl]piperidine

2-[1-(oxan-4-ylidene)ethyl]piperidine (PubChem CID 131182384) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[1-(oxan-4-ylidene)ethyl]piperidine.

Molecular Properties

Compound Name2-[1-(oxan-4-ylidene)ethyl]piperidine
PubChem CID131182384
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[1-(oxan-4-ylidene)ethyl]piperidine
SMILESCC(=C1CCOCC1)C1CCCCN1
InChIInChI=1S/C12H21NO/c1-10(11-5-8-14-9-6-11)12-4-2-3-7-13-12/h12-13H,2-9H2,1H3
InChIKeyFLSLEWVIJBCERQ-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(oxan-4-ylidene)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-ylidene)ethyl]piperidine?
The IUPAC name of 2-[1-(oxan-4-ylidene)ethyl]piperidine (CID 131182384) is 2-[1-(oxan-4-ylidene)ethyl]piperidine.
What is the SMILES notation for 2-[1-(oxan-4-ylidene)ethyl]piperidine?
The canonical SMILES for 2-[1-(oxan-4-ylidene)ethyl]piperidine is CC(=C1CCOCC1)C1CCCCN1.
What is the InChIKey of 2-[1-(oxan-4-ylidene)ethyl]piperidine?
The InChIKey is FLSLEWVIJBCERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(11-5-8-14-9-6-11)12-4-2-3-7-13-12/h12-13H,2-9H2,1H3.
What are the key properties of 2-[1-(oxan-4-ylidene)ethyl]piperidine?
2-[1-(oxan-4-ylidene)ethyl]piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-ylidene)ethyl]piperidine is sourced from PubChem (CID 131182384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).