4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine

C14H24FN — CID 144859662

IUPAC4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine
SMILESC=C(N1CCC(/C(C)=C/C)CC1)C(C)(C)F
InChIInChI=1S/C14H24FN/c1-6-11(2)13-7-9-16(10-8-13)12(3)14(4,5)15/h6,13H,3,7-10H2,1-2,4-5H3/b11-6+
InChIKeyHTFHLGAGKLKUSW-IZZDOVSWSA-N
MW225.35 g/mol
LogP3.93
Rot. Bonds3

About 4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine

4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine (PubChem CID 144859662) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine.

Molecular Properties

Compound Name4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine
PubChem CID144859662
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine
SMILESC=C(N1CCC(/C(C)=C/C)CC1)C(C)(C)F
InChIInChI=1S/C14H24FN/c1-6-11(2)13-7-9-16(10-8-13)12(3)14(4,5)15/h6,13H,3,7-10H2,1-2,4-5H3/b11-6+
InChIKeyHTFHLGAGKLKUSW-IZZDOVSWSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.93
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 4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine?
The IUPAC name of 4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine (CID 144859662) is 4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine.
What is the SMILES notation for 4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine?
The canonical SMILES for 4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine is C=C(N1CCC(/C(C)=C/C)CC1)C(C)(C)F.
What is the InChIKey of 4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine?
The InChIKey is HTFHLGAGKLKUSW-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H24FN/c1-6-11(2)13-7-9-16(10-8-13)12(3)14(4,5)15/h6,13H,3,7-10H2,1-2,4-5H3/b11-6+.
What are the key properties of 4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine?
4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine has a molecular weight of 225.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine is sourced from PubChem (CID 144859662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).