2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone

C14H15F3N2O2 — CID 108533382

IUPAC2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)13(21)19-8-6-18(7-9-19)12(20)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyFNSYNXLNAKYDSR-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.46
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone (PubChem CID 108533382) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone
PubChem CID108533382
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)13(21)19-8-6-18(7-9-19)12(20)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyFNSYNXLNAKYDSR-UHFFFAOYSA-N
XLogP1.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2,2,2-trifluoroethanone
CID 108543695
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
(E)-3-phenyl-1-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]prop-2-en-1-one
CID 108567613
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
CID 119708809
3-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028603

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone (CID 108533382) is 2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone?
The InChIKey is FNSYNXLNAKYDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)13(21)19-8-6-18(7-9-19)12(20)10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone has a molecular weight of 300.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108533382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).