1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine

C16H17F3N2O — CID 141351590

IUPAC1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine
SMILESFC(F)(F)c1ccc2oc(/C=C/CN3CCNCC3)cc2c1
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)13-3-4-15-12(10-13)11-14(22-15)2-1-7-21-8-5-20-6-9-21/h1-4,10-11,20H,5-9H2/b2-1+
InChIKeyNZCYUMBMGHAAAP-OWOJBTEDSA-N
MW310.32 g/mol
LogP3.37
Rot. Bonds3

About 1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine

1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine (PubChem CID 141351590) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine
PubChem CID141351590
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine
SMILESFC(F)(F)c1ccc2oc(/C=C/CN3CCNCC3)cc2c1
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)13-3-4-15-12(10-13)11-14(22-15)2-1-7-21-8-5-20-6-9-21/h1-4,10-11,20H,5-9H2/b2-1+
InChIKeyNZCYUMBMGHAAAP-OWOJBTEDSA-N
XLogP3.37
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353
2-(2-piperazin-1-ylethylsulfanyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 23092423
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834258
N,N-dimethyl-1-[2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)phenyl]methanamine
CID 142156536
1-(5-tert-butyl-1-benzofuran-2-yl)piperazine
CID 164933841
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
1-methyl-3-(piperazin-1-ylmethyl)-6-(trifluoromethyl)indole
CID 117196130
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906053
4-(1,4-diazepan-1-ylmethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole;dihydrochloride
CID 154889410
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 162536610
1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine
CID 141040855

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine?
The IUPAC name of 1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine (CID 141351590) is 1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine is FC(F)(F)c1ccc2oc(/C=C/CN3CCNCC3)cc2c1.
What is the InChIKey of 1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine?
The InChIKey is NZCYUMBMGHAAAP-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H17F3N2O/c17-16(18,19)13-3-4-15-12(10-13)11-14(22-15)2-1-7-21-8-5-20-6-9-21/h1-4,10-11,20H,5-9H2/b2-1+.
What are the key properties of 1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine?
1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine has a molecular weight of 310.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[5-(trifluoromethyl)-1-benzofuran-2-yl]prop-2-enyl]piperazine is sourced from PubChem (CID 141351590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).