2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one

C19H20F2N2O2 — CID 17193924

IUPAC2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20F2N2O2/c1-14(25-18-8-7-15(20)13-17(18)21)19(24)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyVAPVTUMBPNQIGI-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.08
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one

2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 17193924) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID17193924
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20F2N2O2/c1-14(25-18-8-7-15(20)13-17(18)21)19(24)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyVAPVTUMBPNQIGI-UHFFFAOYSA-N
XLogP3.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17217725
2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 3393677
(2S)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220793
(2R)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220794
(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93487258
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 46634903
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17395855
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
(2R)-2-(2,4-difluorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 39891493

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 17193924) is 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one is CC(Oc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is VAPVTUMBPNQIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-14(25-18-8-7-15(20)13-17(18)21)19(24)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 346.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 17193924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).