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

C18H18F4N2 — CID 4646092

IUPAC1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1ccc(C(c2cccc(C(F)(F)F)c2)N2CCNCC2)cc1
InChIInChI=1S/C18H18F4N2/c19-16-6-4-13(5-7-16)17(24-10-8-23-9-11-24)14-2-1-3-15(12-14)18(20,21)22/h1-7,12,17,23H,8-11H2
InChIKeyRJTUGHFHLMGXTD-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.84
Rot. Bonds3

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

1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 4646092) has the molecular formula C18H18F4N2 and a molecular weight of 338.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID4646092
Molecular FormulaC18H18F4N2
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1ccc(C(c2cccc(C(F)(F)F)c2)N2CCNCC2)cc1
InChIInChI=1S/C18H18F4N2/c19-16-6-4-13(5-7-16)17(24-10-8-23-9-11-24)14-2-1-3-15(12-14)18(20,21)22/h1-7,12,17,23H,8-11H2
InChIKeyRJTUGHFHLMGXTD-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3259924
1-[1,3-benzodioxol-5-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4022492
1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179883
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
1-[(2,5-dimethyl-1H-pyrrol-3-yl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 174548914
1-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3776239
1-[furan-2-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3250165
1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176427
1-[(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4522489
1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4271045
1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3939194
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 3971092

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 4646092) is 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine is Fc1ccc(C(c2cccc(C(F)(F)F)c2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is RJTUGHFHLMGXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2/c19-16-6-4-13(5-7-16)17(24-10-8-23-9-11-24)14-2-1-3-15(12-14)18(20,21)22/h1-7,12,17,23H,8-11H2.
What are the key properties of 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 338.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 4646092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).