2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine

C15H20FN — CID 143857695

IUPAC2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine
SMILESC=CCC1CCCC(C2=CCC=C(F)C=C2)N1
InChIInChI=1S/C15H20FN/c1-2-5-14-8-4-9-15(17-14)12-6-3-7-13(16)11-10-12/h2,6-7,10-11,14-15,17H,1,3-5,8-9H2
InChIKeyKIBQQVYCNVXGPM-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.81
Rot. Bonds3

About 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine

2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine (PubChem CID 143857695) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine.

Molecular Properties

Compound Name2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine
PubChem CID143857695
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine
SMILESC=CCC1CCCC(C2=CCC=C(F)C=C2)N1
InChIInChI=1S/C15H20FN/c1-2-5-14-8-4-9-15(17-14)12-6-3-7-13(16)11-10-12/h2,6-7,10-11,14-15,17H,1,3-5,8-9H2
InChIKeyKIBQQVYCNVXGPM-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine?
The IUPAC name of 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine (CID 143857695) is 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine.
What is the SMILES notation for 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine?
The canonical SMILES for 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine is C=CCC1CCCC(C2=CCC=C(F)C=C2)N1.
What is the InChIKey of 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine?
The InChIKey is KIBQQVYCNVXGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-2-5-14-8-4-9-15(17-14)12-6-3-7-13(16)11-10-12/h2,6-7,10-11,14-15,17H,1,3-5,8-9H2.
What are the key properties of 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine?
2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine has a molecular weight of 233.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorocyclohepta-1,4,6-trien-1-yl)-6-prop-2-enylpiperidine is sourced from PubChem (CID 143857695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).