1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C19H20BrF3N2 — CID 1222693

IUPAC1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C19H20BrF3N2/c20-18-7-3-16(4-8-18)14-25-11-9-24(10-12-25)13-15-1-5-17(6-2-15)19(21,22)23/h1-8H,9-14H2
InChIKeyRCKATCQQUOVUCF-UHFFFAOYSA-N
MW413.28 g/mol
LogP4.79
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 1222693) has the molecular formula C19H20BrF3N2 and a molecular weight of 413.28 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID1222693
Molecular FormulaC19H20BrF3N2
Molecular Weight413.28 g/mol
Exact Mass412.08
IUPAC Name1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C19H20BrF3N2/c20-18-7-3-16(4-8-18)14-25-11-9-24(10-12-25)13-15-1-5-17(6-2-15)19(21,22)23/h1-8H,9-14H2
InChIKeyRCKATCQQUOVUCF-UHFFFAOYSA-N
XLogP4.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 1222693) is 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is RCKATCQQUOVUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF3N2/c20-18-7-3-16(4-8-18)14-25-11-9-24(10-12-25)13-15-1-5-17(6-2-15)19(21,22)23/h1-8H,9-14H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 413.28 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 1222693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).