1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine

C14H26FN — CID 156518936

IUPAC1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1(F)CCN(CC(CC)CC)CC1
InChIInChI=1S/C14H26FN/c1-5-13(6-2)11-16-9-7-14(15,8-10-16)12(3)4/h13H,3,5-11H2,1-2,4H3
InChIKeyLKTHSOXXEXFKIM-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.80
Rot. Bonds5

About 1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine

1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine (PubChem CID 156518936) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine
PubChem CID156518936
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC Name1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1(F)CCN(CC(CC)CC)CC1
InChIInChI=1S/C14H26FN/c1-5-13(6-2)11-16-9-7-14(15,8-10-16)12(3)4/h13H,3,5-11H2,1-2,4H3
InChIKeyLKTHSOXXEXFKIM-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.80
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 1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine?
The IUPAC name of 1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine (CID 156518936) is 1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine?
The canonical SMILES for 1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine is C=C(C)C1(F)CCN(CC(CC)CC)CC1.
What is the InChIKey of 1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine?
The InChIKey is LKTHSOXXEXFKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN/c1-5-13(6-2)11-16-9-7-14(15,8-10-16)12(3)4/h13H,3,5-11H2,1-2,4H3.
What are the key properties of 1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine?
1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine has a molecular weight of 227.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 156518936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).