1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine

C16H26F3NO — CID 90703251

IUPAC1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
SMILESCCC(=CC=C(C)C(F)(F)F)COC1CCN(CC)CC1
InChIInChI=1S/C16H26F3NO/c1-4-14(7-6-13(3)16(17,18)19)12-21-15-8-10-20(5-2)11-9-15/h6-7,15H,4-5,8-12H2,1-3H3
InChIKeyXLFYOWPOXYGRIZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.33
Rot. Bonds6

About 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine

1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine (PubChem CID 90703251) has the molecular formula C16H26F3NO and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
PubChem CID90703251
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC Name1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
SMILESCCC(=CC=C(C)C(F)(F)F)COC1CCN(CC)CC1
InChIInChI=1S/C16H26F3NO/c1-4-14(7-6-13(3)16(17,18)19)12-21-15-8-10-20(5-2)11-9-15/h6-7,15H,4-5,8-12H2,1-3H3
InChIKeyXLFYOWPOXYGRIZ-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine
CID 89355258
1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
ethane;1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394648
Ethane;1-methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168416
1-butyl-4-[4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxybutyl]piperazine
CID 177958412
1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394649
1-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
1-Ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502855
4-[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 162578474
1-Methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168417
4-[(3E,6E)-4,6-bis[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-yl]oxy-1-methylpiperidine;ethane
CID 142087467
ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine
CID 145194564

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine?
The IUPAC name of 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine (CID 90703251) is 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine.
What is the SMILES notation for 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine?
The canonical SMILES for 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine is CCC(=CC=C(C)C(F)(F)F)COC1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine?
The InChIKey is XLFYOWPOXYGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c1-4-14(7-6-13(3)16(17,18)19)12-21-15-8-10-20(5-2)11-9-15/h6-7,15H,4-5,8-12H2,1-3H3.
What are the key properties of 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine?
1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine has a molecular weight of 305.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine is sourced from PubChem (CID 90703251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).