1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine

C11H20FN — CID 140996575

IUPAC1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine
SMILESC/C(=C\CCN1CCCCC1)CF
InChIInChI=1S/C11H20FN/c1-11(10-12)6-5-9-13-7-3-2-4-8-13/h6H,2-5,7-10H2,1H3/b11-6+
InChIKeyTYMHOWBQUSTGQT-IZZDOVSWSA-N
MW185.29 g/mol
LogP2.78
Rot. Bonds4

About 1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine

1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine (PubChem CID 140996575) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine
PubChem CID140996575
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine
SMILESC/C(=C\CCN1CCCCC1)CF
InChIInChI=1S/C11H20FN/c1-11(10-12)6-5-9-13-7-3-2-4-8-13/h6H,2-5,7-10H2,1H3/b11-6+
InChIKeyTYMHOWBQUSTGQT-IZZDOVSWSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.78
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 1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine?
The IUPAC name of 1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine (CID 140996575) is 1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine.
What is the SMILES notation for 1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine?
The canonical SMILES for 1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine is C/C(=C\CCN1CCCCC1)CF.
What is the InChIKey of 1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine?
The InChIKey is TYMHOWBQUSTGQT-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H20FN/c1-11(10-12)6-5-9-13-7-3-2-4-8-13/h6H,2-5,7-10H2,1H3/b11-6+.
What are the key properties of 1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine?
1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine has a molecular weight of 185.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-fluoro-4-methylpent-3-enyl]piperidine is sourced from PubChem (CID 140996575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).