1-but-3-enyl-4-(oxolan-3-yloxy)piperidine

C13H23NO2 — CID 71863109

IUPAC1-but-3-enyl-4-(oxolan-3-yloxy)piperidine
SMILESC=CCCN1CCC(OC2CCOC2)CC1
InChIInChI=1S/C13H23NO2/c1-2-3-7-14-8-4-12(5-9-14)16-13-6-10-15-11-13/h2,12-13H,1,3-11H2
InChIKeyZKLWQDWYVLWTRY-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.83
Rot. Bonds5

About 1-but-3-enyl-4-(oxolan-3-yloxy)piperidine

1-but-3-enyl-4-(oxolan-3-yloxy)piperidine (PubChem CID 71863109) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-but-3-enyl-4-(oxolan-3-yloxy)piperidine.

Molecular Properties

Compound Name1-but-3-enyl-4-(oxolan-3-yloxy)piperidine
PubChem CID71863109
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-but-3-enyl-4-(oxolan-3-yloxy)piperidine
SMILESC=CCCN1CCC(OC2CCOC2)CC1
InChIInChI=1S/C13H23NO2/c1-2-3-7-14-8-4-12(5-9-14)16-13-6-10-15-11-13/h2,12-13H,1,3-11H2
InChIKeyZKLWQDWYVLWTRY-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-but-3-enyl-4-(oxolan-3-yloxy)piperidine?
The IUPAC name of 1-but-3-enyl-4-(oxolan-3-yloxy)piperidine (CID 71863109) is 1-but-3-enyl-4-(oxolan-3-yloxy)piperidine.
What is the SMILES notation for 1-but-3-enyl-4-(oxolan-3-yloxy)piperidine?
The canonical SMILES for 1-but-3-enyl-4-(oxolan-3-yloxy)piperidine is C=CCCN1CCC(OC2CCOC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-(oxolan-3-yloxy)piperidine?
The InChIKey is ZKLWQDWYVLWTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-7-14-8-4-12(5-9-14)16-13-6-10-15-11-13/h2,12-13H,1,3-11H2.
What are the key properties of 1-but-3-enyl-4-(oxolan-3-yloxy)piperidine?
1-but-3-enyl-4-(oxolan-3-yloxy)piperidine has a molecular weight of 225.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-(oxolan-3-yloxy)piperidine is sourced from PubChem (CID 71863109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).