1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine

C20H23F3N2O3 — CID 171287396

IUPAC1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESCOc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C20H23F3N2O3/c1-26-16-7-8-17(18(13-16)27-2)19(25-11-9-24-10-12-25)14-3-5-15(6-4-14)28-20(21,22)23/h3-8,13,19,24H,9-12H2,1-2H3/t19-/m1/s1
InChIKeyCNMPIIBQNKPRBS-LJQANCHMSA-N
MW396.41 g/mol
LogP3.60
Rot. Bonds6

About 1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine

1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171287396) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171287396
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESCOc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C20H23F3N2O3/c1-26-16-7-8-17(18(13-16)27-2)19(25-11-9-24-10-12-25)14-3-5-15(6-4-14)28-20(21,22)23/h3-8,13,19,24H,9-12H2,1-2H3/t19-/m1/s1
InChIKeyCNMPIIBQNKPRBS-LJQANCHMSA-N
XLogP3.60
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(R)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286633
1-[(R)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171286916
1-[(R)-[4-(trifluoromethoxy)phenyl]-(2,4,6-trimethoxyphenyl)methyl]piperazine
CID 171287363
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3508845
1-[(S)-(3-ethoxy-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280909
1-[(R)-(3,5-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171286308
2-methoxy-6-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171294269
1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280478
5-methoxy-3-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
CID 171273749
1-[(S)-(4-methoxy-3-methylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171282593
1-[(2,4-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3817195
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171287396) is 1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine is COc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)c(OC)c1.
What is the InChIKey of 1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is CNMPIIBQNKPRBS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-26-16-7-8-17(18(13-16)27-2)19(25-11-9-24-10-12-25)14-3-5-15(6-4-14)28-20(21,22)23/h3-8,13,19,24H,9-12H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 396.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171287396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).