4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine

C11H20FN — CID 166702303

IUPAC4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine
SMILESC=CC1(F)CCN(CC(C)C)CC1
InChIInChI=1S/C11H20FN/c1-4-11(12)5-7-13(8-6-11)9-10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyDYMRJTIAAYSRHD-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.63
Rot. Bonds3

About 4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine

4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine (PubChem CID 166702303) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine
PubChem CID166702303
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine
SMILESC=CC1(F)CCN(CC(C)C)CC1
InChIInChI=1S/C11H20FN/c1-4-11(12)5-7-13(8-6-11)9-10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyDYMRJTIAAYSRHD-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
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-fluoro-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine (CID 166702303) is 4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine is C=CC1(F)CCN(CC(C)C)CC1.
What is the InChIKey of 4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine?
The InChIKey is DYMRJTIAAYSRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-4-11(12)5-7-13(8-6-11)9-10(2)3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine?
4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine has a molecular weight of 185.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-fluoro-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 166702303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).