4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine

C14H20F3NO — CID 89355269

IUPAC4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine
SMILESC/C=C(\C=C(C)/C=C/OC1CCNCC1)C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-3-12(14(15,16)17)10-11(2)6-9-19-13-4-7-18-8-5-13/h3,6,9-10,13,18H,4-5,7-8H2,1-2H3/b9-6+,11-10-,12-3+
InChIKeyWDUFGMULTDLHDB-DHQVDSTGSA-N
MW275.31 g/mol
LogP3.72
Rot. Bonds4

About 4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine

4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine (PubChem CID 89355269) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine.

Molecular Properties

Compound Name4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine
PubChem CID89355269
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine
SMILESC/C=C(\C=C(C)/C=C/OC1CCNCC1)C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-3-12(14(15,16)17)10-11(2)6-9-19-13-4-7-18-8-5-13/h3,6,9-10,13,18H,4-5,7-8H2,1-2H3/b9-6+,11-10-,12-3+
InChIKeyWDUFGMULTDLHDB-DHQVDSTGSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine?
The IUPAC name of 4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine (CID 89355269) is 4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine.
What is the SMILES notation for 4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine?
The canonical SMILES for 4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine is C/C=C(\C=C(C)/C=C/OC1CCNCC1)C(F)(F)F.
What is the InChIKey of 4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine?
The InChIKey is WDUFGMULTDLHDB-DHQVDSTGSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-12(14(15,16)17)10-11(2)6-9-19-13-4-7-18-8-5-13/h3,6,9-10,13,18H,4-5,7-8H2,1-2H3/b9-6+,11-10-,12-3+.
What are the key properties of 4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine?
4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine has a molecular weight of 275.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trienoxy]piperidine is sourced from PubChem (CID 89355269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).