4-ethenyl-4-fluoropiperidine

C7H12FN — CID 89216907

IUPAC4-ethenyl-4-fluoropiperidine
SMILESC=CC1(F)CCNCC1
InChIInChI=1S/C7H12FN/c1-2-7(8)3-5-9-6-4-7/h2,9H,1,3-6H2
InChIKeyZNONBIMLLLQSEC-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.26
Rot. Bonds1

About 4-ethenyl-4-fluoropiperidine

4-ethenyl-4-fluoropiperidine (PubChem CID 89216907) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 4-ethenyl-4-fluoropiperidine.

Molecular Properties

Compound Name4-ethenyl-4-fluoropiperidine
PubChem CID89216907
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name4-ethenyl-4-fluoropiperidine
SMILESC=CC1(F)CCNCC1
InChIInChI=1S/C7H12FN/c1-2-7(8)3-5-9-6-4-7/h2,9H,1,3-6H2
InChIKeyZNONBIMLLLQSEC-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethenyl-4-fluoropiperidine?
The IUPAC name of 4-ethenyl-4-fluoropiperidine (CID 89216907) is 4-ethenyl-4-fluoropiperidine.
What is the SMILES notation for 4-ethenyl-4-fluoropiperidine?
The canonical SMILES for 4-ethenyl-4-fluoropiperidine is C=CC1(F)CCNCC1.
What is the InChIKey of 4-ethenyl-4-fluoropiperidine?
The InChIKey is ZNONBIMLLLQSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-2-7(8)3-5-9-6-4-7/h2,9H,1,3-6H2.
What are the key properties of 4-ethenyl-4-fluoropiperidine?
4-ethenyl-4-fluoropiperidine has a molecular weight of 129.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-fluoropiperidine is sourced from PubChem (CID 89216907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).