1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine

C19H18F6N2O2 — CID 171280478

IUPAC1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc([C@@H](c2ccccc2OC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C19H18F6N2O2/c20-18(21,22)28-14-7-5-13(6-8-14)17(27-11-9-26-10-12-27)15-3-1-2-4-16(15)29-19(23,24)25/h1-8,17,26H,9-12H2/t17-/m0/s1
InChIKeyIGZQGBLRZHGZOB-KRWDZBQOSA-N
MW420.35 g/mol
LogP4.48
Rot. Bonds5

About 1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine

1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171280478) has the molecular formula C19H18F6N2O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is 1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171280478
Molecular FormulaC19H18F6N2O2
Molecular Weight420.35 g/mol
Exact Mass420.13
IUPAC Name1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc([C@@H](c2ccccc2OC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C19H18F6N2O2/c20-18(21,22)28-14-7-5-13(6-8-14)17(27-11-9-26-10-12-27)15-3-1-2-4-16(15)29-19(23,24)25/h1-8,17,26H,9-12H2/t17-/m0/s1
InChIKeyIGZQGBLRZHGZOB-KRWDZBQOSA-N
XLogP4.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171286916
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
2-methoxy-6-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171294269
2-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]benzonitrile;dihydrochloride
CID 171288065
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
3-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol;dihydrochloride
CID 171274700
1-[(S)-(2-bromo-3-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171277243
1-[(S)-(2,3-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171275817
1-[(R)-(2-nitrophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171285266
2-fluoro-6-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171285713
1-[(S)-(2-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171276388
1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287396

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171280478) is 1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine is FC(F)(F)Oc1ccc([C@@H](c2ccccc2OC(F)(F)F)N2CCNCC2)cc1.
What is the InChIKey of 1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is IGZQGBLRZHGZOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18F6N2O2/c20-18(21,22)28-14-7-5-13(6-8-14)17(27-11-9-26-10-12-27)15-3-1-2-4-16(15)29-19(23,24)25/h1-8,17,26H,9-12H2/t17-/m0/s1.
What are the key properties of 1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 420.35 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[2-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171280478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).