1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine

C19H18F6N2O2 — CID 18348182

IUPAC1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc(C(c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1
InChIInChI=1S/C19H18F6N2O2/c20-18(21,22)28-15-5-1-13(2-6-15)17(27-11-9-26-10-12-27)14-3-7-16(8-4-14)29-19(23,24)25/h1-8,17,26H,9-12H2
InChIKeyJRVBIUAGANMTKE-UHFFFAOYSA-N
MW420.35 g/mol
LogP4.48
Rot. Bonds5

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

1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 18348182) has the molecular formula C19H18F6N2O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is 1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID18348182
Molecular FormulaC19H18F6N2O2
Molecular Weight420.35 g/mol
Exact Mass420.13
IUPAC Name1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc(C(c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1
InChIInChI=1S/C19H18F6N2O2/c20-18(21,22)28-15-5-1-13(2-6-15)17(27-11-9-26-10-12-27)14-3-7-16(8-4-14)29-19(23,24)25/h1-8,17,26H,9-12H2
InChIKeyJRVBIUAGANMTKE-UHFFFAOYSA-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)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171272564
1-[(S)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287926
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779
1-[(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275299
1-[(S)-(4-methylsulfanylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171281961
1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280875
1-[(R)-(2,6-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171289581
1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171296275
1-[(R)-(3,5-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171286308
1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180039

Frequently Asked Questions

What is the IUPAC name of 1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 18348182) is 1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine is FC(F)(F)Oc1ccc(C(c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is JRVBIUAGANMTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O2/c20-18(21,22)28-15-5-1-13(2-6-15)17(27-11-9-26-10-12-27)14-3-7-16(8-4-14)29-19(23,24)25/h1-8,17,26H,9-12H2.
What are the key properties of 1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[bis[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-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 18348182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).