3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

C20H21F3N2O2 — CID 113078078

IUPAC3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-6-8-17(9-7-16)24-11-13-25(14-12-24)19(26)10-15-27-18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKeyPECYOSGVYFJMRH-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.82
Rot. Bonds5

About 3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (PubChem CID 113078078) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
PubChem CID113078078
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-6-8-17(9-7-16)24-11-13-25(14-12-24)19(26)10-15-27-18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKeyPECYOSGVYFJMRH-UHFFFAOYSA-N
XLogP3.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113078847
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558573
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
9-oxo-9-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]nonanoic acid
CID 71523643
4-hydroxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 167913460
4-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one
CID 55337887
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 7274685
3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741032

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (CID 113078078) is 3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is O=C(CCOc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is PECYOSGVYFJMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)16-6-8-17(9-7-16)24-11-13-25(14-12-24)19(26)10-15-27-18-4-2-1-3-5-18/h1-9H,10-15H2.
What are the key properties of 3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 378.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 113078078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).