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

C21H23F3N2O — CID 175267293

IUPAC1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CCc3ccccc3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H23F3N2O/c1-16(27)25-11-13-26(14-12-25)19-10-9-18(20(15-19)21(22,23)24)8-7-17-5-3-2-4-6-17/h2-6,9-10,15H,7-8,11-14H2,1H3
InChIKeyYJAFGNHATBLNLU-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.16
Rot. Bonds4

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

1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 175267293) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID175267293
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CCc3ccccc3)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H23F3N2O/c1-16(27)25-11-13-26(14-12-25)19-10-9-18(20(15-19)21(22,23)24)8-7-17-5-3-2-4-6-17/h2-6,9-10,15H,7-8,11-14H2,1H3
InChIKeyYJAFGNHATBLNLU-UHFFFAOYSA-N
XLogP4.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030804
2-[4-[2-[4-piperazin-1-yl-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetamide
CID 163744689
1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
CID 43007461
1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040
2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid
CID 142405531
4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 133343259
2-[4-(4-acetylpiperazin-1-yl)phenyl]acetic acid
CID 135263317
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113080051
2-methyl-1-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135770
1-[4-[4-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 159678886
[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320822
1-[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanone
CID 54014888

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 175267293) is 1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(CCc3ccccc3)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is YJAFGNHATBLNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-16(27)25-11-13-26(14-12-25)19-10-9-18(20(15-19)21(22,23)24)8-7-17-5-3-2-4-6-17/h2-6,9-10,15H,7-8,11-14H2,1H3.
What are the key properties of 1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 376.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 175267293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).