1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone

C19H20F2N2O2 — CID 24762955

IUPAC1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20F2N2O2/c20-16-6-7-18(17(21)12-16)22-8-10-23(11-9-22)19(24)14-25-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
InChIKeyLISIBTYUESGZGJ-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.83
Rot. Bonds5

About 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone

1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 24762955) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID24762955
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20F2N2O2/c20-16-6-7-18(17(21)12-16)22-8-10-23(11-9-22)19(24)14-25-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
InChIKeyLISIBTYUESGZGJ-UHFFFAOYSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, N-(3-fluoro-4-(4-morpholinyl)phenyl)-, phenylmethyl ester
CID 5306150
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-(morpholin-4-ylmethyl)pyridin-2(1H)-one
CID 22051155
2-(Benzyloxy)-1-(4-(2,4-dichlorophenyl)piperazin-1-yl)ethanone
CID 24762950
2-(Benzyloxy)-1-(4-(2-chlorophenyl)piperazin-1-yl)ethanone
CID 24762952
2-(Benzyloxy)-1-(4-(2-chloro-4-fluorophenyl)piperazin-1-yl)ethanone
CID 24763201
2-(Benzyloxy)-1-(4-(4-chlorophenyl)piperazin-1-yl)ethanone
CID 52942601
VU0364289
CID 46865097
2-(4-Ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 806713
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2930820
2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2932443
Ethyl 4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetyl}piperazine-1-carboxylate
CID 3238108
4-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethoxy]-1-methylquinolin-2(1H)-one
CID 3238431

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone (CID 24762955) is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is LISIBTYUESGZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-6-7-18(17(21)12-16)22-8-10-23(11-9-22)19(24)14-25-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2.
What are the key properties of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 346.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 24762955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).