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

C12H21NO — CID 58550025

IUPAC3-ethenyl-1-(oxan-4-yl)piperidine
SMILESC=CC1CCCN(C2CCOCC2)C1
InChIInChI=1S/C12H21NO/c1-2-11-4-3-7-13(10-11)12-5-8-14-9-6-12/h2,11-12H,1,3-10H2
InChIKeyUCHWIKOEXIABSR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.06
Rot. Bonds2

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

3-ethenyl-1-(oxan-4-yl)piperidine (PubChem CID 58550025) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-ethenyl-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name3-ethenyl-1-(oxan-4-yl)piperidine
PubChem CID58550025
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-ethenyl-1-(oxan-4-yl)piperidine
SMILESC=CC1CCCN(C2CCOCC2)C1
InChIInChI=1S/C12H21NO/c1-2-11-4-3-7-13(10-11)12-5-8-14-9-6-12/h2,11-12H,1,3-10H2
InChIKeyUCHWIKOEXIABSR-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethenyl-1-(oxan-4-yl)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 3-ethenyl-1-(oxan-4-yl)piperidine?
The IUPAC name of 3-ethenyl-1-(oxan-4-yl)piperidine (CID 58550025) is 3-ethenyl-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 3-ethenyl-1-(oxan-4-yl)piperidine?
The canonical SMILES for 3-ethenyl-1-(oxan-4-yl)piperidine is C=CC1CCCN(C2CCOCC2)C1.
What is the InChIKey of 3-ethenyl-1-(oxan-4-yl)piperidine?
The InChIKey is UCHWIKOEXIABSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-11-4-3-7-13(10-11)12-5-8-14-9-6-12/h2,11-12H,1,3-10H2.
What are the key properties of 3-ethenyl-1-(oxan-4-yl)piperidine?
3-ethenyl-1-(oxan-4-yl)piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 58550025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).