4-fluoro-4-[(E)-prop-1-enyl]piperidine

C8H14FN — CID 131577677

IUPAC4-fluoro-4-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1(F)CCNCC1
InChIInChI=1S/C8H14FN/c1-2-3-8(9)4-6-10-7-5-8/h2-3,10H,4-7H2,1H3/b3-2+
InChIKeyPJHKDLDFPAHZAN-NSCUHMNNSA-N
MW143.20 g/mol
LogP1.65
Rot. Bonds1

About 4-fluoro-4-[(E)-prop-1-enyl]piperidine

4-fluoro-4-[(E)-prop-1-enyl]piperidine (PubChem CID 131577677) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 4-fluoro-4-[(E)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[(E)-prop-1-enyl]piperidine
PubChem CID131577677
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name4-fluoro-4-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1(F)CCNCC1
InChIInChI=1S/C8H14FN/c1-2-3-8(9)4-6-10-7-5-8/h2-3,10H,4-7H2,1H3/b3-2+
InChIKeyPJHKDLDFPAHZAN-NSCUHMNNSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.65
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-fluoro-4-[(E)-prop-1-enyl]piperidine?
The IUPAC name of 4-fluoro-4-[(E)-prop-1-enyl]piperidine (CID 131577677) is 4-fluoro-4-[(E)-prop-1-enyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[(E)-prop-1-enyl]piperidine?
The canonical SMILES for 4-fluoro-4-[(E)-prop-1-enyl]piperidine is C/C=C/C1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-[(E)-prop-1-enyl]piperidine?
The InChIKey is PJHKDLDFPAHZAN-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14FN/c1-2-3-8(9)4-6-10-7-5-8/h2-3,10H,4-7H2,1H3/b3-2+.
What are the key properties of 4-fluoro-4-[(E)-prop-1-enyl]piperidine?
4-fluoro-4-[(E)-prop-1-enyl]piperidine has a molecular weight of 143.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(E)-prop-1-enyl]piperidine is sourced from PubChem (CID 131577677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).