1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine

C14H24FN — CID 123561041

IUPAC1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine
SMILESCCC=C(F)C(CN1CCCCC1)=C(C)C
InChIInChI=1S/C14H24FN/c1-4-8-14(15)13(12(2)3)11-16-9-6-5-7-10-16/h8H,4-7,9-11H2,1-3H3
InChIKeyXRYLPOYKSVHWQT-UHFFFAOYSA-N
MW225.35 g/mol
LogP4.07
Rot. Bonds4

About 1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine

1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine (PubChem CID 123561041) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine.

Molecular Properties

Compound Name1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine
PubChem CID123561041
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine
SMILESCCC=C(F)C(CN1CCCCC1)=C(C)C
InChIInChI=1S/C14H24FN/c1-4-8-14(15)13(12(2)3)11-16-9-6-5-7-10-16/h8H,4-7,9-11H2,1-3H3
InChIKeyXRYLPOYKSVHWQT-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine?
The IUPAC name of 1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine (CID 123561041) is 1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine.
What is the SMILES notation for 1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine?
The canonical SMILES for 1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine is CCC=C(F)C(CN1CCCCC1)=C(C)C.
What is the InChIKey of 1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine?
The InChIKey is XRYLPOYKSVHWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN/c1-4-8-14(15)13(12(2)3)11-16-9-6-5-7-10-16/h8H,4-7,9-11H2,1-3H3.
What are the key properties of 1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine?
1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine has a molecular weight of 225.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-propan-2-ylidenehex-3-enyl)piperidine is sourced from PubChem (CID 123561041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).