3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C19H20Cl2N2O — CID 68791115

IUPAC3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O/c20-16-8-6-15(18(21)14-16)7-9-19(24)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-6,8,14H,7,9-13H2
InChIKeyKPNJDDMLOLOQCS-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.27
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 68791115) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID68791115
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O/c20-16-8-6-15(18(21)14-16)7-9-19(24)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-6,8,14H,7,9-13H2
InChIKeyKPNJDDMLOLOQCS-UHFFFAOYSA-N
XLogP4.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 100607984
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 90872728
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 100520841
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 68791115) is 3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is KPNJDDMLOLOQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-16-8-6-15(18(21)14-16)7-9-19(24)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-6,8,14H,7,9-13H2.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 363.29 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 68791115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).