2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol

C20H23F3N2O2 — CID 2845711

IUPAC2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
SMILESCCOc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O
InChIInChI=1S/C20H23F3N2O2/c1-2-27-18-8-3-5-15(19(18)26)14-24-9-11-25(12-10-24)17-7-4-6-16(13-17)20(21,22)23/h3-8,13,26H,2,9-12,14H2,1H3
InChIKeySQTJIBYSLXPHIU-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.13
Rot. Bonds5

About 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol

2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol (PubChem CID 2845711) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
PubChem CID2845711
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
SMILESCCOc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O
InChIInChI=1S/C20H23F3N2O2/c1-2-27-18-8-3-5-15(19(18)26)14-24-9-11-25(12-10-24)17-7-4-6-16(13-17)20(21,22)23/h3-8,13,26H,2,9-12,14H2,1H3
InChIKeySQTJIBYSLXPHIU-UHFFFAOYSA-N
XLogP4.13
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol 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-(3-Ethoxy-4-methoxybenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1067896
5-[[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]methyl]-2-fluorophenol
CID 56926586
2-Methoxy-6-({[3-(trifluoromethyl)phenyl]amino}methyl)phenol
CID 3397882
4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(3''-trifluoromethylphenyl)piperazine
CID 25156966
5-Ethyl-2-[2-fluoro-4-(3-hydroxy-propylamino)-phenoxy]-phenol
CID 59191344
1-(3-Methylphenoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 260295
5-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-2-methoxyphenol
CID 763644
Cambridge id 5411429
CID 782011
4-[[4-(2,5-Dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol
CID 782696
1-[(2,3-Dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792522
2-Ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
CID 1067897
1-[(2,3-Dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1377098

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol (CID 2845711) is 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol is CCOc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O.
What is the InChIKey of 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol?
The InChIKey is SQTJIBYSLXPHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-2-27-18-8-3-5-15(19(18)26)14-24-9-11-25(12-10-24)17-7-4-6-16(13-17)20(21,22)23/h3-8,13,26H,2,9-12,14H2,1H3.
What are the key properties of 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol?
2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol has a molecular weight of 380.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 2845711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).