3-fluoro-1-pent-4-enylpiperidine

C10H18FN — CID 163239212

IUPAC3-fluoro-1-pent-4-enylpiperidine
SMILESC=CCCCN1CCCC(F)C1
InChIInChI=1S/C10H18FN/c1-2-3-4-7-12-8-5-6-10(11)9-12/h2,10H,1,3-9H2
InChIKeyCYQPMEBQBOFGOB-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.39
Rot. Bonds4

About 3-fluoro-1-pent-4-enylpiperidine

3-fluoro-1-pent-4-enylpiperidine (PubChem CID 163239212) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-fluoro-1-pent-4-enylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-pent-4-enylpiperidine
PubChem CID163239212
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-fluoro-1-pent-4-enylpiperidine
SMILESC=CCCCN1CCCC(F)C1
InChIInChI=1S/C10H18FN/c1-2-3-4-7-12-8-5-6-10(11)9-12/h2,10H,1,3-9H2
InChIKeyCYQPMEBQBOFGOB-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-pent-4-enylpiperidine?
The IUPAC name of 3-fluoro-1-pent-4-enylpiperidine (CID 163239212) is 3-fluoro-1-pent-4-enylpiperidine.
What is the SMILES notation for 3-fluoro-1-pent-4-enylpiperidine?
The canonical SMILES for 3-fluoro-1-pent-4-enylpiperidine is C=CCCCN1CCCC(F)C1.
What is the InChIKey of 3-fluoro-1-pent-4-enylpiperidine?
The InChIKey is CYQPMEBQBOFGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-2-3-4-7-12-8-5-6-10(11)9-12/h2,10H,1,3-9H2.
What are the key properties of 3-fluoro-1-pent-4-enylpiperidine?
3-fluoro-1-pent-4-enylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-pent-4-enylpiperidine is sourced from PubChem (CID 163239212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).