1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one

C25H24Cl2N2O — CID 68817643

IUPAC1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one
SMILESCC(=O)C(c1ccccc1)(c1ccccc1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C25H24Cl2N2O/c1-19(30)25(20-9-4-2-5-10-20,21-11-6-3-7-12-21)29-17-15-28(16-18-29)23-14-8-13-22(26)24(23)27/h2-14H,15-18H2,1H3
InChIKeyDSOOAEOJFKMTIN-UHFFFAOYSA-N
MW439.39 g/mol
LogP5.65
Rot. Bonds5

About 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one

1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one (PubChem CID 68817643) has the molecular formula C25H24Cl2N2O and a molecular weight of 439.39 g/mol. Its IUPAC name is 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one.

Molecular Properties

Compound Name1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one
PubChem CID68817643
Molecular FormulaC25H24Cl2N2O
Molecular Weight439.39 g/mol
Exact Mass438.13
IUPAC Name1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one
SMILESCC(=O)C(c1ccccc1)(c1ccccc1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C25H24Cl2N2O/c1-19(30)25(20-9-4-2-5-10-20,21-11-6-3-7-12-21)29-17-15-28(16-18-29)23-14-8-13-22(26)24(23)27/h2-14H,15-18H2,1H3
InChIKeyDSOOAEOJFKMTIN-UHFFFAOYSA-N
XLogP5.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one?
The IUPAC name of 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one (CID 68817643) is 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one.
What is the SMILES notation for 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one?
The canonical SMILES for 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one is CC(=O)C(c1ccccc1)(c1ccccc1)N1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one?
The InChIKey is DSOOAEOJFKMTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O/c1-19(30)25(20-9-4-2-5-10-20,21-11-6-3-7-12-21)29-17-15-28(16-18-29)23-14-8-13-22(26)24(23)27/h2-14H,15-18H2,1H3.
What are the key properties of 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one?
1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one has a molecular weight of 439.39 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-one is sourced from PubChem (CID 68817643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).