1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine

C11H15F3N2O — CID 145096196

IUPAC1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine
SMILESC=C(/C=C\C(=C)N1CCNCC1)OC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-9(16-7-5-15-6-8-16)3-4-10(2)17-11(12,13)14/h3-4,15H,1-2,5-8H2/b4-3-
InChIKeyCCVZWEWJCBAFBM-ARJAWSKDSA-N
MW248.25 g/mol
LogP2.01
Rot. Bonds4

About 1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine

1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine (PubChem CID 145096196) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine.

Molecular Properties

Compound Name1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine
PubChem CID145096196
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine
SMILESC=C(/C=C\C(=C)N1CCNCC1)OC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-9(16-7-5-15-6-8-16)3-4-10(2)17-11(12,13)14/h3-4,15H,1-2,5-8H2/b4-3-
InChIKeyCCVZWEWJCBAFBM-ARJAWSKDSA-N
XLogP2.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
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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Related Compounds

(2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine
CID 146561503
1-[(2E,4Z)-6-(trifluoromethoxy)hepta-2,4,6-trien-3-yl]piperazine
CID 155274268
1-(2H-pyran-5-yl)piperazine
CID 22461532
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968
1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]piperazine
CID 142202925
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]piperazine
CID 142202942
ethane;1-[(3E,5Z)-2-methoxyhepta-1,3,5-trien-4-yl]piperazine
CID 145612558
1-[(3E,5Z)-2-methoxyhepta-1,3,5-trien-4-yl]piperazine
CID 145612559
1-(2H-pyran-4-yl)piperazine
CID 178177939

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine?
The IUPAC name of 1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine (CID 145096196) is 1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine.
What is the SMILES notation for 1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine?
The canonical SMILES for 1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine is C=C(/C=C\C(=C)N1CCNCC1)OC(F)(F)F.
What is the InChIKey of 1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine?
The InChIKey is CCVZWEWJCBAFBM-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-9(16-7-5-15-6-8-16)3-4-10(2)17-11(12,13)14/h3-4,15H,1-2,5-8H2/b4-3-.
What are the key properties of 1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine?
1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine has a molecular weight of 248.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine is sourced from PubChem (CID 145096196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).