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

C13H15F3N2O — CID 110257792

IUPAC1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O/c1-9(19)18-7-6-17-8-12(18)10-2-4-11(5-3-10)13(14,15)16/h2-5,12,17H,6-8H2,1H3
InChIKeyNTUZXBKONGYTSH-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.20
Rot. Bonds1

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

1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 110257792) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID110257792
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O/c1-9(19)18-7-6-17-8-12(18)10-2-4-11(5-3-10)13(14,15)16/h2-5,12,17H,6-8H2,1H3
InChIKeyNTUZXBKONGYTSH-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 95828293
1-[4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 110258666
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
2-methoxy-3-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene;1-(2-phenylpiperazin-1-yl)ethanone
CID 70137134
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 125005845
tert-butyl (2S)-2-(4-chlorophenyl)piperazine-1-carboxylate
CID 51556790
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
1-(2-phenylpiperazin-1-yl)butane-1,3-dione
CID 110477449
[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 120735841

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 110257792) is 1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCNCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is NTUZXBKONGYTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-9(19)18-7-6-17-8-12(18)10-2-4-11(5-3-10)13(14,15)16/h2-5,12,17H,6-8H2,1H3.
What are the key properties of 1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 272.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110257792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).