1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C18H17ClF4N2 — CID 22199130

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1
InChIInChI=1S/C18H17ClF4N2/c19-17-11-15(20)5-4-13(17)12-24-6-8-25(9-7-24)16-3-1-2-14(10-16)18(21,22)23/h1-5,10-11H,6-9,12H2
InChIKeyZVHPCRUGYIWNOH-UHFFFAOYSA-N
MW372.79 g/mol
LogP4.82
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 22199130) has the molecular formula C18H17ClF4N2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID22199130
Molecular FormulaC18H17ClF4N2
Molecular Weight372.79 g/mol
Exact Mass372.10
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1
InChIInChI=1S/C18H17ClF4N2/c19-17-11-15(20)5-4-13(17)12-24-6-8-25(9-7-24)16-3-1-2-14(10-16)18(21,22)23/h1-5,10-11H,6-9,12H2
InChIKeyZVHPCRUGYIWNOH-UHFFFAOYSA-N
XLogP4.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 67309675
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 791479
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 22194447
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1375701
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2244842
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3867916
1-(4-chlorobut-2-enyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 77051345
1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-phenylpiperazine
CID 1277305
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 22199130) is 1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is Fc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is ZVHPCRUGYIWNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF4N2/c19-17-11-15(20)5-4-13(17)12-24-6-8-25(9-7-24)16-3-1-2-14(10-16)18(21,22)23/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 372.79 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 22199130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).