1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine

C19H20BrF3N2O — CID 170453683

IUPAC1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(Cc2ccc(Br)cc2Oc2ccccc2)CC1
InChIInChI=1S/C19H20BrF3N2O/c20-16-7-6-15(18(12-16)26-17-4-2-1-3-5-17)13-24-8-10-25(11-9-24)14-19(21,22)23/h1-7,12H,8-11,13-14H2
InChIKeyQTPPJUQYTAADMH-UHFFFAOYSA-N
MW429.28 g/mol
LogP4.92
Rot. Bonds5

About 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine

1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 170453683) has the molecular formula C19H20BrF3N2O and a molecular weight of 429.28 g/mol. Its IUPAC name is 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID170453683
Molecular FormulaC19H20BrF3N2O
Molecular Weight429.28 g/mol
Exact Mass428.07
IUPAC Name1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(Cc2ccc(Br)cc2Oc2ccccc2)CC1
InChIInChI=1S/C19H20BrF3N2O/c20-16-7-6-15(18(12-16)26-17-4-2-1-3-5-17)13-24-8-10-25(11-9-24)14-19(21,22)23/h1-7,12H,8-11,13-14H2
InChIKeyQTPPJUQYTAADMH-UHFFFAOYSA-N
XLogP4.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine
CID 170453704
1-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 170456534
3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine
CID 68851049
1-[(3-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 60705102
1-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 52542822
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
1-[(5-bromo-2-methoxy-3-methylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 171919466
1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 67513524
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 2879260
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82962319
1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 112826186

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 170453683) is 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(Cc2ccc(Br)cc2Oc2ccccc2)CC1.
What is the InChIKey of 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is QTPPJUQYTAADMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF3N2O/c20-16-7-6-15(18(12-16)26-17-4-2-1-3-5-17)13-24-8-10-25(11-9-24)14-19(21,22)23/h1-7,12H,8-11,13-14H2.
What are the key properties of 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 429.28 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 170453683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).