4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine

C15H25F2NO — CID 138516304

IUPAC4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine
SMILESC=C(F)/C=C(/COCC1(F)CCNCC1)CC(C)C
InChIInChI=1S/C15H25F2NO/c1-12(2)8-14(9-13(3)16)10-19-11-15(17)4-6-18-7-5-15/h9,12,18H,3-8,10-11H2,1-2H3/b14-9+
InChIKeyUNBMWNXYAVUCDK-NTEUORMPSA-N
MW273.37 g/mol
LogP3.55
Rot. Bonds7

About 4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine

4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine (PubChem CID 138516304) has the molecular formula C15H25F2NO and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine
PubChem CID138516304
Molecular FormulaC15H25F2NO
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine
SMILESC=C(F)/C=C(/COCC1(F)CCNCC1)CC(C)C
InChIInChI=1S/C15H25F2NO/c1-12(2)8-14(9-13(3)16)10-19-11-15(17)4-6-18-7-5-15/h9,12,18H,3-8,10-11H2,1-2H3/b14-9+
InChIKeyUNBMWNXYAVUCDK-NTEUORMPSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine?
The IUPAC name of 4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine (CID 138516304) is 4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine?
The canonical SMILES for 4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine is C=C(F)/C=C(/COCC1(F)CCNCC1)CC(C)C.
What is the InChIKey of 4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine?
The InChIKey is UNBMWNXYAVUCDK-NTEUORMPSA-N. The full InChI is InChI=1S/C15H25F2NO/c1-12(2)8-14(9-13(3)16)10-19-11-15(17)4-6-18-7-5-15/h9,12,18H,3-8,10-11H2,1-2H3/b14-9+.
What are the key properties of 4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine?
4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine has a molecular weight of 273.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[[(2E)-4-fluoro-2-(2-methylpropyl)penta-2,4-dienoxy]methyl]piperidine is sourced from PubChem (CID 138516304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).