2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

C19H19F3N2O — CID 4110932

IUPAC2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)16-7-4-8-17(14-16)23-9-11-24(12-10-23)18(25)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyYHQRSBVXHTUIKU-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.60
Rot. Bonds3

About 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 4110932) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID4110932
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)16-7-4-8-17(14-16)23-9-11-24(12-10-23)18(25)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyYHQRSBVXHTUIKU-UHFFFAOYSA-N
XLogP3.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone 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

Fentanyl
CID 3345
3-Methylfentanyl
CID 61996
N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)butanamide
CID 621174
alpha-Methylfentanyl
CID 62281
N-(1-Benzyl-4-piperidyl)-N-phenylpropanamide
CID 252141
3-Methylfentanyl, cis-
CID 3041260
N-(4-fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
CID 62300
Acetylfentanyl
CID 527015
Fentanyl Hydrochloride
CID 83932
p-Tolylfentanyl
CID 527013
Diampromide
CID 62370
Nfepp
CID 71605072

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 4110932) is 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is YHQRSBVXHTUIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)16-7-4-8-17(14-16)23-9-11-24(12-10-23)18(25)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2.
What are the key properties of 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 348.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 4110932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).