3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid

C19H20Cl2N2O2 — CID 133241517

IUPAC3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-7-6-14(12-17(16)21)13-18(19(24)25)23-10-8-22(9-11-23)15-4-2-1-3-5-15/h1-7,12,18H,8-11,13H2,(H,24,25)
InChIKeyZKKWENPPIGGLNE-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.81
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid

3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid (PubChem CID 133241517) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
PubChem CID133241517
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-7-6-14(12-17(16)21)13-18(19(24)25)23-10-8-22(9-11-23)15-4-2-1-3-5-15/h1-7,12,18H,8-11,13H2,(H,24,25)
InChIKeyZKKWENPPIGGLNE-UHFFFAOYSA-N
XLogP3.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241491
3-(2,6-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241457
3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241481
3-(3-chloro-4-fluorophenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82134465
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 100554250
(2S)-3-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 100551898
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359
(2S)-2-(4-phenylpiperazin-1-yl)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100554100
2-[(3,4-dichlorophenyl)methyl]propanedioic acid
CID 69044923
3-(2-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241529
(2R)-3-(2,5-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 100553590
(2R)-1-(3,4-dichlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1478990

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid (CID 133241517) is 3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid is O=C(O)C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid?
The InChIKey is ZKKWENPPIGGLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-16-7-6-14(12-17(16)21)13-18(19(24)25)23-10-8-22(9-11-23)15-4-2-1-3-5-15/h1-7,12,18H,8-11,13H2,(H,24,25).
What are the key properties of 3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid?
3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid has a molecular weight of 379.29 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 133241517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).