1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine

C14H24FNO — CID 144372382

IUPAC1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine
SMILESCC/C=C(\C(=C(/C)\OC)\CN1CCCCC1)/F
InChIInChI=1S/C14H24FNO/c1-4-8-14(15)13(12(2)17-3)11-16-9-6-5-7-10-16/h8H,4-7,9-11H2,1-3H3/b13-12+,14-8+
InChIKeyCEZJTIMTOJFOPW-BPFWAFMNSA-N
MW241.34 g/mol
LogP3.30
Rot. Bonds5

About 1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine

1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine (PubChem CID 144372382) has the molecular formula C14H24FNO and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine.

Molecular Properties

Compound Name1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine
PubChem CID144372382
Molecular FormulaC14H24FNO
Molecular Weight241.34 g/mol
Exact Mass241.18
IUPAC Name1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine
SMILESCC/C=C(\C(=C(/C)\OC)\CN1CCCCC1)/F
InChIInChI=1S/C14H24FNO/c1-4-8-14(15)13(12(2)17-3)11-16-9-6-5-7-10-16/h8H,4-7,9-11H2,1-3H3/b13-12+,14-8+
InChIKeyCEZJTIMTOJFOPW-BPFWAFMNSA-N
XLogP3.30
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity291

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine?
The IUPAC name of 1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine (CID 144372382) is 1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine.
What is the SMILES notation for 1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine?
The canonical SMILES for 1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine is CC/C=C(\C(=C(/C)\OC)\CN1CCCCC1)/F.
What is the InChIKey of 1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine?
The InChIKey is CEZJTIMTOJFOPW-BPFWAFMNSA-N. The full InChI is InChI=1S/C14H24FNO/c1-4-8-14(15)13(12(2)17-3)11-16-9-6-5-7-10-16/h8H,4-7,9-11H2,1-3H3/b13-12+,14-8+.
What are the key properties of 1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine?
1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine has a molecular weight of 241.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,2E)-3-fluoro-2-(1-methoxyethylidene)hex-3-enyl]piperidine is sourced from PubChem (CID 144372382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).