1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine

C20H23F3N2O2 — CID 3973215

IUPAC1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1cccc(OC)c1C(c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C20H23F3N2O2/c1-26-16-4-3-5-17(27-2)18(16)19(25-12-10-24-11-13-25)14-6-8-15(9-7-14)20(21,22)23/h3-9,19,24H,10-13H2,1-2H3
InChIKeyRNMQMEDGOAAXKB-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.72
Rot. Bonds5

About 1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine

1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 3973215) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID3973215
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1cccc(OC)c1C(c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C20H23F3N2O2/c1-26-16-4-3-5-17(27-2)18(16)19(25-12-10-24-11-13-25)14-6-8-15(9-7-14)20(21,22)23/h3-9,19,24H,10-13H2,1-2H3
InChIKeyRNMQMEDGOAAXKB-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-[(R)-(2,6-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171287468
1-[(2,6-dimethoxyphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane
CID 5130117
1-[[4-(trifluoromethyl)phenyl]-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 3897309
1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3939194
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[(R)-[4-(trifluoromethoxy)phenyl]-(2,4,6-trimethoxyphenyl)methyl]piperazine
CID 171287363
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4646092
3,5-dimethoxy-4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171278883
1-[(R)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171286916
2-methoxy-6-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171294269
1-[(1S)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302479

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 3973215) is 1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine is COc1cccc(OC)c1C(c1ccc(C(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is RNMQMEDGOAAXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-26-16-4-3-5-17(27-2)18(16)19(25-12-10-24-11-13-25)14-6-8-15(9-7-14)20(21,22)23/h3-9,19,24H,10-13H2,1-2H3.
What are the key properties of 1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(2,6-dimethoxyphenyl)-[4-(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-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 3973215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).