1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C21H25F3N2O — CID 171335225

IUPAC1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOC(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H25F3N2O/c1-27-20(18-5-3-2-4-6-18)16-26-13-11-25(12-14-26)15-17-7-9-19(10-8-17)21(22,23)24/h2-10,20H,11-16H2,1H3
InChIKeyBXPKIFGGQXLYKZ-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.21
Rot. Bonds6

About 1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 171335225) has the molecular formula C21H25F3N2O and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID171335225
Molecular FormulaC21H25F3N2O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOC(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H25F3N2O/c1-27-20(18-5-3-2-4-6-18)16-26-13-11-25(12-14-26)15-17-7-9-19(10-8-17)21(22,23)24/h2-10,20H,11-16H2,1H3
InChIKeyBXPKIFGGQXLYKZ-UHFFFAOYSA-N
XLogP4.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-2-phenylethyl)-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

Related Compounds

1-benzyl-4-[(2R)-2-methoxy-2-phenylethyl]piperazine
CID 10448132
1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1351397
1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine
CID 171335226
3-amino-4-phenyl-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-2-ol
CID 166105707
1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride
CID 11605620
1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
CID 143117253
1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine
CID 167921657
1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 11512090
1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1067952
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 141472105
(2S)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 66549168

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 171335225) is 1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is COC(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is BXPKIFGGQXLYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O/c1-27-20(18-5-3-2-4-6-18)16-26-13-11-25(12-14-26)15-17-7-9-19(10-8-17)21(22,23)24/h2-10,20H,11-16H2,1H3.
What are the key properties of 1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 378.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 171335225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).