4-[(E)-1-fluorohex-3-en-3-yl]piperidine

C11H20FN — CID 89168225

IUPAC4-[(E)-1-fluorohex-3-en-3-yl]piperidine
SMILESCC/C=C(\CCF)C1CCNCC1
InChIInChI=1S/C11H20FN/c1-2-3-10(4-7-12)11-5-8-13-9-6-11/h3,11,13H,2,4-9H2,1H3/b10-3+
InChIKeyDIHQXLNDDJKLNG-XCVCLJGOSA-N
MW185.29 g/mol
LogP2.68
Rot. Bonds4

About 4-[(E)-1-fluorohex-3-en-3-yl]piperidine

4-[(E)-1-fluorohex-3-en-3-yl]piperidine (PubChem CID 89168225) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-[(E)-1-fluorohex-3-en-3-yl]piperidine.

Molecular Properties

Compound Name4-[(E)-1-fluorohex-3-en-3-yl]piperidine
PubChem CID89168225
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name4-[(E)-1-fluorohex-3-en-3-yl]piperidine
SMILESCC/C=C(\CCF)C1CCNCC1
InChIInChI=1S/C11H20FN/c1-2-3-10(4-7-12)11-5-8-13-9-6-11/h3,11,13H,2,4-9H2,1H3/b10-3+
InChIKeyDIHQXLNDDJKLNG-XCVCLJGOSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.68
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-[(E)-1-fluorohex-3-en-3-yl]piperidine?
The IUPAC name of 4-[(E)-1-fluorohex-3-en-3-yl]piperidine (CID 89168225) is 4-[(E)-1-fluorohex-3-en-3-yl]piperidine.
What is the SMILES notation for 4-[(E)-1-fluorohex-3-en-3-yl]piperidine?
The canonical SMILES for 4-[(E)-1-fluorohex-3-en-3-yl]piperidine is CC/C=C(\CCF)C1CCNCC1.
What is the InChIKey of 4-[(E)-1-fluorohex-3-en-3-yl]piperidine?
The InChIKey is DIHQXLNDDJKLNG-XCVCLJGOSA-N. The full InChI is InChI=1S/C11H20FN/c1-2-3-10(4-7-12)11-5-8-13-9-6-11/h3,11,13H,2,4-9H2,1H3/b10-3+.
What are the key properties of 4-[(E)-1-fluorohex-3-en-3-yl]piperidine?
4-[(E)-1-fluorohex-3-en-3-yl]piperidine has a molecular weight of 185.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-fluorohex-3-en-3-yl]piperidine is sourced from PubChem (CID 89168225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).