1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine

C20H23F3N2O2 — CID 3817195

IUPAC1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1ccc(C(c2cccc(C(F)(F)F)c2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C20H23F3N2O2/c1-26-16-6-7-17(18(13-16)27-2)19(25-10-8-24-9-11-25)14-4-3-5-15(12-14)20(21,22)23/h3-7,12-13,19,24H,8-11H2,1-2H3
InChIKeyMBFFAMVVEJNJRP-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.72
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine

1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 3817195) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID3817195
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1ccc(C(c2cccc(C(F)(F)F)c2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C20H23F3N2O2/c1-26-16-6-7-17(18(13-16)27-2)19(25-10-8-24-9-11-25)14-4-3-5-15(12-14)20(21,22)23/h3-7,12-13,19,24H,8-11H2,1-2H3
InChIKeyMBFFAMVVEJNJRP-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-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3776239
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3508845
1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287396
1-[(2,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3326663
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3712286
1-[(4-ethoxy-3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3829582
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]-1,4-diazepane
CID 3841489
1-[(2,5-dimethyl-1H-pyrrol-3-yl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 174548914
1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4646092
1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3600926
1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 3699847

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 3817195) is 1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine is COc1ccc(C(c2cccc(C(F)(F)F)c2)N2CCNCC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is MBFFAMVVEJNJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-26-16-6-7-17(18(13-16)27-2)19(25-10-8-24-9-11-25)14-4-3-5-15(12-14)20(21,22)23/h3-7,12-13,19,24H,8-11H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(2,4-dimethoxyphenyl)-[3-(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-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 3817195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).