1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine

C20H23F3N2O2 — CID 3699847

IUPAC1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1ccc(OC)c(C(c2ccccc2C(F)(F)F)N2CCNCC2)c1
InChIInChI=1S/C20H23F3N2O2/c1-26-14-7-8-18(27-2)16(13-14)19(25-11-9-24-10-12-25)15-5-3-4-6-17(15)20(21,22)23/h3-8,13,19,24H,9-12H2,1-2H3
InChIKeyNLKAHXUYUHPTFG-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.72
Rot. Bonds5

About 1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine

1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 3699847) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID3699847
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1ccc(OC)c(C(c2ccccc2C(F)(F)F)N2CCNCC2)c1
InChIInChI=1S/C20H23F3N2O2/c1-26-14-7-8-18(27-2)16(13-14)19(25-11-9-24-10-12-25)15-5-3-4-6-17(15)20(21,22)23/h3-8,13,19,24H,9-12H2,1-2H3
InChIKeyNLKAHXUYUHPTFG-UHFFFAOYSA-N
XLogP3.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3778741
1-[(S)-furan-2-yl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176785
1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 5234749
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3508845
1-[(R)-furan-2-yl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180282
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(2,4-dimethoxyphenyl)-(2-fluorophenyl)methyl]-1,4-diazepane
CID 5106734
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150
1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3428738
1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 7047794
1-[(1R)-2,2,2-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171180130

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine (CID 3699847) is 1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine is COc1ccc(OC)c(C(c2ccccc2C(F)(F)F)N2CCNCC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is NLKAHXUYUHPTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-26-14-7-8-18(27-2)16(13-14)19(25-11-9-24-10-12-25)15-5-3-4-6-17(15)20(21,22)23/h3-8,13,19,24H,9-12H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 380.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 3699847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).