1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one

C15H19F3N2O — CID 62967368

IUPAC1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one
SMILESO=C(Cc1ccccc1)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-20-8-6-19(7-9-20)11-14(21)10-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyUQUQFLDMYUZDRI-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.98
Rot. Bonds5

About 1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one

1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one (PubChem CID 62967368) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one
PubChem CID62967368
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one
SMILESO=C(Cc1ccccc1)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-20-8-6-19(7-9-20)11-14(21)10-13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyUQUQFLDMYUZDRI-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one
CID 62777093
1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 55140385
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 81102981
1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
CID 63623746
2-phenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 155597278
4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzoic acid;dihydrochloride
CID 139211314
1-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)propan-2-one;dihydrochloride
CID 70274690
1,3-diphenyl(213C)propan-2-one
CID 100945080
(2R)-2-benzyl-4-oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 18647697
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one?
The IUPAC name of 1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one (CID 62967368) is 1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one is O=C(Cc1ccccc1)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one?
The InChIKey is UQUQFLDMYUZDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-20-8-6-19(7-9-20)11-14(21)10-13-4-2-1-3-5-13/h1-5H,6-12H2.
What are the key properties of 1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one?
1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one has a molecular weight of 300.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one is sourced from PubChem (CID 62967368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).