3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine

C12H22FN — CID 154670049

IUPAC3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine
SMILESC=CC1(F)CN(CC)CCC1C(C)C
InChIInChI=1S/C12H22FN/c1-5-12(13)9-14(6-2)8-7-11(12)10(3)4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyUXFFESRIEFCWIU-UHFFFAOYSA-N
MW199.31 g/mol
LogP2.88
Rot. Bonds3

About 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine

3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine (PubChem CID 154670049) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine
PubChem CID154670049
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine
SMILESC=CC1(F)CN(CC)CCC1C(C)C
InChIInChI=1S/C12H22FN/c1-5-12(13)9-14(6-2)8-7-11(12)10(3)4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyUXFFESRIEFCWIU-UHFFFAOYSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine 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 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine?
The IUPAC name of 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine (CID 154670049) is 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine.
What is the SMILES notation for 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine?
The canonical SMILES for 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine is C=CC1(F)CN(CC)CCC1C(C)C.
What is the InChIKey of 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine?
The InChIKey is UXFFESRIEFCWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-5-12(13)9-14(6-2)8-7-11(12)10(3)4/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine?
3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine has a molecular weight of 199.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine is sourced from PubChem (CID 154670049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).