1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C20H25F3N2O — CID 22762653

IUPAC1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)(C)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1
InChIInChI=1S/C20H25F3N2O/c1-19(2,3)18-8-7-17(26-18)14-24-9-11-25(12-10-24)16-6-4-5-15(13-16)20(21,22)23/h4-8,13H,9-12,14H2,1-3H3
InChIKeyVBMQVEYCUGCGLQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.92
Rot. Bonds3

About 1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 22762653) has the molecular formula C20H25F3N2O and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID22762653
Molecular FormulaC20H25F3N2O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)(C)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1
InChIInChI=1S/C20H25F3N2O/c1-19(2,3)18-8-7-17(26-18)14-24-9-11-25(12-10-24)16-6-4-5-15(13-16)20(21,22)23/h4-8,13H,9-12,14H2,1-3H3
InChIKeyVBMQVEYCUGCGLQ-UHFFFAOYSA-N
XLogP4.92
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-tert-butylfuran-2-yl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine
CID 22762695
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1375701
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3867916
1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 791479
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2244842
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22199130
2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 46807557

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 22762653) is 1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is CC(C)(C)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1.
What is the InChIKey of 1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is VBMQVEYCUGCGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O/c1-19(2,3)18-8-7-17(26-18)14-24-9-11-25(12-10-24)16-6-4-5-15(13-16)20(21,22)23/h4-8,13H,9-12,14H2,1-3H3.
What are the key properties of 1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 366.43 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 22762653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).