[4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate

C20H21F3N2O2 — CID 142781343

IUPAC[4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate
SMILESCC(=O)ON1CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21F3N2O2/c1-15(26)27-25-12-10-24(11-13-25)19(16-6-3-2-4-7-16)17-8-5-9-18(14-17)20(21,22)23/h2-9,14,19H,10-13H2,1H3
InChIKeyGCDKKSJLPYECHQ-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.89
Rot. Bonds4

About [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate

[4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate (PubChem CID 142781343) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate.

Molecular Properties

Compound Name[4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate
PubChem CID142781343
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name[4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate
SMILESCC(=O)ON1CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21F3N2O2/c1-15(26)27-25-12-10-24(11-13-25)19(16-6-3-2-4-7-16)17-8-5-9-18(14-17)20(21,22)23/h2-9,14,19H,10-13H2,1H3
InChIKeyGCDKKSJLPYECHQ-UHFFFAOYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate 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

CID 4741586
CID 4741586
CID 44404566
CID 44404566
CID 789874
CID 789874
CID 25063368
CID 25063368
CID 3024373
CID 3024373
CID 44534732
CID 44534732
CID 53323523
CID 53323523
CID 4792808
CID 4792808
CID 122600665
CID 122600665
CID 122600931
CID 122600931
CID 2879915
CID 2879915
CID 57682603
CID 57682603

Frequently Asked Questions

What is the IUPAC name of [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate?
The IUPAC name of [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate (CID 142781343) is [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate.
What is the SMILES notation for [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate?
The canonical SMILES for [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate is CC(=O)ON1CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate?
The InChIKey is GCDKKSJLPYECHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-15(26)27-25-12-10-24(11-13-25)19(16-6-3-2-4-7-16)17-8-5-9-18(14-17)20(21,22)23/h2-9,14,19H,10-13H2,1H3.
What are the key properties of [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate?
[4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate has a molecular weight of 378.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl] acetate is sourced from PubChem (CID 142781343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).