3-(2-fluoropent-4-en-2-yl)piperidine

C10H18FN — CID 112564973

IUPAC3-(2-fluoropent-4-en-2-yl)piperidine
SMILESC=CCC(C)(F)C1CCCNC1
InChIInChI=1S/C10H18FN/c1-3-6-10(2,11)9-5-4-7-12-8-9/h3,9,12H,1,4-8H2,2H3
InChIKeyBAWYFSDDMOWNMW-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.29
Rot. Bonds3

About 3-(2-fluoropent-4-en-2-yl)piperidine

3-(2-fluoropent-4-en-2-yl)piperidine (PubChem CID 112564973) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-(2-fluoropent-4-en-2-yl)piperidine.

Molecular Properties

Compound Name3-(2-fluoropent-4-en-2-yl)piperidine
PubChem CID112564973
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-(2-fluoropent-4-en-2-yl)piperidine
SMILESC=CCC(C)(F)C1CCCNC1
InChIInChI=1S/C10H18FN/c1-3-6-10(2,11)9-5-4-7-12-8-9/h3,9,12H,1,4-8H2,2H3
InChIKeyBAWYFSDDMOWNMW-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.29
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 3-(2-fluoropent-4-en-2-yl)piperidine?
The IUPAC name of 3-(2-fluoropent-4-en-2-yl)piperidine (CID 112564973) is 3-(2-fluoropent-4-en-2-yl)piperidine.
What is the SMILES notation for 3-(2-fluoropent-4-en-2-yl)piperidine?
The canonical SMILES for 3-(2-fluoropent-4-en-2-yl)piperidine is C=CCC(C)(F)C1CCCNC1.
What is the InChIKey of 3-(2-fluoropent-4-en-2-yl)piperidine?
The InChIKey is BAWYFSDDMOWNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-6-10(2,11)9-5-4-7-12-8-9/h3,9,12H,1,4-8H2,2H3.
What are the key properties of 3-(2-fluoropent-4-en-2-yl)piperidine?
3-(2-fluoropent-4-en-2-yl)piperidine has a molecular weight of 171.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropent-4-en-2-yl)piperidine is sourced from PubChem (CID 112564973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).