3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine

C16H24F3NO — CID 176701386

IUPAC3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=C/C=C(/OC1CCCN(CC(F)(F)F)C1)C(=C)C(C)C
InChIInChI=1S/C16H24F3NO/c1-5-7-15(13(4)12(2)3)21-14-8-6-9-20(10-14)11-16(17,18)19/h5,7,12,14H,1,4,6,8-11H2,2-3H3/b15-7+
InChIKeyKWFNHNPFKNVLEP-VIZOYTHASA-N
MW303.37 g/mol
LogP4.31
Rot. Bonds6

About 3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine

3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 176701386) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID176701386
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=C/C=C(/OC1CCCN(CC(F)(F)F)C1)C(=C)C(C)C
InChIInChI=1S/C16H24F3NO/c1-5-7-15(13(4)12(2)3)21-14-8-6-9-20(10-14)11-16(17,18)19/h5,7,12,14H,1,4,6,8-11H2,2-3H3/b15-7+
InChIKeyKWFNHNPFKNVLEP-VIZOYTHASA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]-4-methylmorpholine
CID 164918323
4-[[(2E,4E,6E)-4-fluoro-8-methylnona-2,4,6-trien-3-yl]oxymethyl]-1-methylpiperidine
CID 142399915
4,4-dimethyl-1-[2-[(2E,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethyl]piperidine
CID 145108003

Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine (CID 176701386) is 3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine is C=C/C=C(/OC1CCCN(CC(F)(F)F)C1)C(=C)C(C)C.
What is the InChIKey of 3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is KWFNHNPFKNVLEP-VIZOYTHASA-N. The full InChI is InChI=1S/C16H24F3NO/c1-5-7-15(13(4)12(2)3)21-14-8-6-9-20(10-14)11-16(17,18)19/h5,7,12,14H,1,4,6,8-11H2,2-3H3/b15-7+.
What are the key properties of 3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine?
3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 303.37 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 176701386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).