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

C12H22FN — CID 154670446

IUPAC3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine
SMILESC=CC1(F)CN(C(C)C)CCC1CC
InChIInChI=1S/C12H22FN/c1-5-11-7-8-14(10(3)4)9-12(11,13)6-2/h6,10-11H,2,5,7-9H2,1,3-4H3
InChIKeyIFBUFWPFIJUANR-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.02
Rot. Bonds3

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

3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine (PubChem CID 154670446) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine
PubChem CID154670446
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine
SMILESC=CC1(F)CN(C(C)C)CCC1CC
InChIInChI=1S/C12H22FN/c1-5-11-7-8-14(10(3)4)9-12(11,13)6-2/h6,10-11H,2,5,7-9H2,1,3-4H3
InChIKeyIFBUFWPFIJUANR-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
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-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine?
The IUPAC name of 3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine (CID 154670446) is 3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine?
The canonical SMILES for 3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine is C=CC1(F)CN(C(C)C)CCC1CC.
What is the InChIKey of 3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine?
The InChIKey is IFBUFWPFIJUANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-5-11-7-8-14(10(3)4)9-12(11,13)6-2/h6,10-11H,2,5,7-9H2,1,3-4H3.
What are the key properties of 3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine?
3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine has a molecular weight of 199.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-ethyl-3-fluoro-1-propan-2-ylpiperidine is sourced from PubChem (CID 154670446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).