1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine

C16H17F3N2O — CID 168525964

IUPAC1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccco2)CC1
InChIInChI=1S/C16H17F3N2O/c1-20-6-8-21(9-7-20)14-5-4-12(16(17,18)19)11-13(14)15-3-2-10-22-15/h2-5,10-11H,6-9H2,1H3
InChIKeyYJKLNWNPLCEZQC-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.72
Rot. Bonds2

About 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine

1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine (PubChem CID 168525964) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine
PubChem CID168525964
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccco2)CC1
InChIInChI=1S/C16H17F3N2O/c1-20-6-8-21(9-7-20)14-5-4-12(16(17,18)19)11-13(14)15-3-2-10-22-15/h2-5,10-11H,6-9H2,1H3
InChIKeyYJKLNWNPLCEZQC-UHFFFAOYSA-N
XLogP3.72
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine
CID 168524729
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine
CID 173148061
2-[2-fluoro-4-(trifluoromethyl)phenyl]furan
CID 168524503
4-[2-(furan-2-yl)-4-methylphenyl]morpholine
CID 168526395
2-[2-nitro-5-(trifluoromethyl)phenyl]furan
CID 168526595
1-[2-isocyanato-4-(trifluoromethyl)phenyl]-4-methylpiperazine
CID 169353320
2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan
CID 168528176
2-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168524965
[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]thiourea
CID 169357396
2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 102226461
1-(4-methylpiperazin-1-yl)-6-phenyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 154148139

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine (CID 168525964) is 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine is CN1CCN(c2ccc(C(F)(F)F)cc2-c2ccco2)CC1.
What is the InChIKey of 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine?
The InChIKey is YJKLNWNPLCEZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-20-6-8-21(9-7-20)14-5-4-12(16(17,18)19)11-13(14)15-3-2-10-22-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine?
1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine has a molecular weight of 310.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 168525964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).