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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
CID 90703251
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
CID 139437788
(4E,6Z)-N,N,4,5-tetramethyl-3-[4-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-yl]oxynona-4,6,8-trien-1-amine
CID 142961733
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
ethane;1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394648
1-[(2-Fluoro-6-methoxycyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 144301902
Ethane;1-methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168416
1-Methyl-4-[5-(trifluoromethoxy)cyclohepta-1,3,4,6-tetraen-1-yl]oxypiperidine
CID 142206696
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
1-Methyl-4-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 168168417

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).