4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine

C14H24FNO2 — CID 145107631

IUPAC4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine
SMILESC=C(F)/C(=C\C)OCCN1CCC(OCC)CC1
InChIInChI=1S/C14H24FNO2/c1-4-14(12(3)15)18-11-10-16-8-6-13(7-9-16)17-5-2/h4,13H,3,5-11H2,1-2H3/b14-4+
InChIKeyKFBJFFNSGOTCHS-LNKIKWGQSA-N
MW257.35 g/mol
LogP2.89
Rot. Bonds7

About 4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine

4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine (PubChem CID 145107631) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine
PubChem CID145107631
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Name4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine
SMILESC=C(F)/C(=C\C)OCCN1CCC(OCC)CC1
InChIInChI=1S/C14H24FNO2/c1-4-14(12(3)15)18-11-10-16-8-6-13(7-9-16)17-5-2/h4,13H,3,5-11H2,1-2H3/b14-4+
InChIKeyKFBJFFNSGOTCHS-LNKIKWGQSA-N
XLogP2.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.89
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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Related Compounds

(1E,3E)-2-fluoro-3-(2-piperidin-1-ylethoxy)penta-1,3-diene-1-thiol
CID 144808720
1-Methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine
CID 142206696
4-[3-(4-Methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine
CID 123223918
1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 141973839
4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
CID 142009560
ethane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]oxypiperidine
CID 144191963
3-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
CID 144279111
2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol
CID 144655815
ethene;4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine;propane
CID 145107630
1-methyl-4-[(3E)-penta-1,3-dien-3-yl]oxypiperidine
CID 144191964

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine?
The IUPAC name of 4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine (CID 145107631) is 4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine.
What is the SMILES notation for 4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine?
The canonical SMILES for 4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine is C=C(F)/C(=C\C)OCCN1CCC(OCC)CC1.
What is the InChIKey of 4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine?
The InChIKey is KFBJFFNSGOTCHS-LNKIKWGQSA-N. The full InChI is InChI=1S/C14H24FNO2/c1-4-14(12(3)15)18-11-10-16-8-6-13(7-9-16)17-5-2/h4,13H,3,5-11H2,1-2H3/b14-4+.
What are the key properties of 4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine?
4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine has a molecular weight of 257.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[2-[(3E)-2-fluoropenta-1,3-dien-3-yl]oxyethyl]piperidine is sourced from PubChem (CID 145107631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).