1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C22H20ClF3N2O — CID 1375701

IUPAC1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)c1
InChIInChI=1S/C22H20ClF3N2O/c23-20-7-2-1-6-19(20)21-9-8-18(29-21)15-27-10-12-28(13-11-27)17-5-3-4-16(14-17)22(24,25)26/h1-9,14H,10-13,15H2
InChIKeySMLIBCBYTCCMDE-UHFFFAOYSA-N
MW420.86 g/mol
LogP5.94
Rot. Bonds4

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

1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 1375701) has the molecular formula C22H20ClF3N2O and a molecular weight of 420.86 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID1375701
Molecular FormulaC22H20ClF3N2O
Molecular Weight420.86 g/mol
Exact Mass420.12
IUPAC Name1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)c1
InChIInChI=1S/C22H20ClF3N2O/c23-20-7-2-1-6-19(20)21-9-8-18(29-21)15-27-10-12-28(13-11-27)17-5-3-4-16(14-17)22(24,25)26/h1-9,14H,10-13,15H2
InChIKeySMLIBCBYTCCMDE-UHFFFAOYSA-N
XLogP5.94
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.86
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22762653
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22199130
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine
CID 70951099
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2244842
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
1-(4-chlorobut-2-enyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 77051345
1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine
CID 165425411
2-(2-chlorophenyl)-5-[phenyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 20944843
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3867916

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 1375701) is 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)c1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is SMLIBCBYTCCMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O/c23-20-7-2-1-6-19(20)21-9-8-18(29-21)15-27-10-12-28(13-11-27)17-5-3-4-16(14-17)22(24,25)26/h1-9,14H,10-13,15H2.
What are the key properties of 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 420.86 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 1375701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).