1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine

C14H20F3NO2 — CID 142009799

IUPAC1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
SMILESC=C(/C=C\C(=C)OC1CCN(C)CC1)COC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-11(10-19-14(15,16)17)4-5-12(2)20-13-6-8-18(3)9-7-13/h4-5,13H,1-2,6-10H2,3H3/b5-4-
InChIKeyOIXZINNFIWOWKX-PLNGDYQASA-N
MW291.31 g/mol
LogP3.26
Rot. Bonds6

About 1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine

1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine (PubChem CID 142009799) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine.

Molecular Properties

Compound Name1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
PubChem CID142009799
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
SMILESC=C(/C=C\C(=C)OC1CCN(C)CC1)COC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-11(10-19-14(15,16)17)4-5-12(2)20-13-6-8-18(3)9-7-13/h4-5,13H,1-2,6-10H2,3H3/b5-4-
InChIKeyOIXZINNFIWOWKX-PLNGDYQASA-N
XLogP3.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine?
The IUPAC name of 1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine (CID 142009799) is 1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine.
What is the SMILES notation for 1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine?
The canonical SMILES for 1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine is C=C(/C=C\C(=C)OC1CCN(C)CC1)COC(F)(F)F.
What is the InChIKey of 1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine?
The InChIKey is OIXZINNFIWOWKX-PLNGDYQASA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-11(10-19-14(15,16)17)4-5-12(2)20-13-6-8-18(3)9-7-13/h4-5,13H,1-2,6-10H2,3H3/b5-4-.
What are the key properties of 1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine?
1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine has a molecular weight of 291.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine is sourced from PubChem (CID 142009799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).