1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine

C18H17Br2F3N2O — CID 171296275

IUPAC1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc([C@H](c2ccc(Br)c(Br)c2)N2CCNCC2)cc1
InChIInChI=1S/C18H17Br2F3N2O/c19-15-6-3-13(11-16(15)20)17(25-9-7-24-8-10-25)12-1-4-14(5-2-12)26-18(21,22)23/h1-6,11,17,24H,7-10H2/t17-/m1/s1
InChIKeyHACCZOZNIJZOSF-QGZVFWFLSA-N
MW494.15 g/mol
LogP5.10
Rot. Bonds4

About 1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine

1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171296275) has the molecular formula C18H17Br2F3N2O and a molecular weight of 494.15 g/mol. Its IUPAC name is 1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171296275
Molecular FormulaC18H17Br2F3N2O
Molecular Weight494.15 g/mol
Exact Mass491.97
IUPAC Name1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1ccc([C@H](c2ccc(Br)c(Br)c2)N2CCNCC2)cc1
InChIInChI=1S/C18H17Br2F3N2O/c19-15-6-3-13(11-16(15)20)17(25-9-7-24-8-10-25)12-1-4-14(5-2-12)26-18(21,22)23/h1-6,11,17,24H,7-10H2/t17-/m1/s1
InChIKeyHACCZOZNIJZOSF-QGZVFWFLSA-N
XLogP5.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.15
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(4-bromo-3-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171275243
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[(S)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171278079
1-[(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290705
1-[(S)-(3-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171276830
1-[(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171283619
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
1-[(S)-(2-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275874
3,6-dibromo-2-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171297781
4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171272564
1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171296275) is 1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine is FC(F)(F)Oc1ccc([C@H](c2ccc(Br)c(Br)c2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is HACCZOZNIJZOSF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17Br2F3N2O/c19-15-6-3-13(11-16(15)20)17(25-9-7-24-8-10-25)12-1-4-14(5-2-12)26-18(21,22)23/h1-6,11,17,24H,7-10H2/t17-/m1/s1.
What are the key properties of 1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 494.15 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3,4-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171296275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).