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

C19H20Cl2N2O2 — CID 24762950

IUPAC1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H20Cl2N2O2/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
InChIKeyHVFOHTPPCKCGBP-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.86
Rot. Bonds5

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

1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 24762950) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID24762950
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H20Cl2N2O2/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
InChIKeyHVFOHTPPCKCGBP-UHFFFAOYSA-N
XLogP3.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzyloxy)-1-(4-(2-chlorophenyl)piperazin-1-yl)ethanone
CID 24762952
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
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
4-{2-[4-(5-Chloro-2-methylphenyl)piperazin-1-YL]-2-oxoethoxy}-1-methyl-1,2-dihydroquinolin-2-one
CID 16008344
2-(Benzyloxy)-1-(4-(4-fluorophenyl)piperazin-1-yl)ethanone
CID 24762868
2-(Benzyloxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 24762951
2-(Benzyloxy)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethanone
CID 52946222
1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(2,4-dichlorophenyl)piperazine
CID 137648195
N-(4-chlorophenyl)-N-methyl-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 5308259
4-{2-[4-(3-Chlorophenyl)piperazin-1-YL]-2-oxoethoxy}-1-ethyl-1,2-dihydroquinolin-2-one
CID 16008413
Piperazine, 1-(p-chlorophenyl)-4-(beta-methoxyphenethyl)-, monohydrochloride
CID 203023

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone (CID 24762950) is 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is HVFOHTPPCKCGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/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-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 379.29 g/mol, XLogP of 3.86, 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-dichlorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 24762950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).