4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid

C20H23ClN2O2 — CID 69457440

IUPAC4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCCc2cccc(-c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C20H23ClN2O2/c21-19-8-2-7-18(15-19)17-6-1-4-16(14-17)5-3-9-22-10-12-23(13-11-22)20(24)25/h1-2,4,6-8,14-15H,3,5,9-13H2,(H,24,25)
InChIKeyAASYVEIEXYWFPU-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.24
Rot. Bonds5

About 4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid

4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid (PubChem CID 69457440) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid
PubChem CID69457440
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCCc2cccc(-c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C20H23ClN2O2/c21-19-8-2-7-18(15-19)17-6-1-4-16(14-17)5-3-9-22-10-12-23(13-11-22)20(24)25/h1-2,4,6-8,14-15H,3,5,9-13H2,(H,24,25)
InChIKeyAASYVEIEXYWFPU-UHFFFAOYSA-N
XLogP4.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413921
[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110413923
4-[4-(4-chlorophenyl)butyl]piperazine-1-carboxylic acid
CID 69457869
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
2-chloro-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 12563664
4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid
CID 69459100
4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 67357875
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
1-[4-[3-(3-nitrophenyl)propyl]piperazin-1-yl]ethanone
CID 20600738

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid (CID 69457440) is 4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(CCCc2cccc(-c3cccc(Cl)c3)c2)CC1.
What is the InChIKey of 4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid?
The InChIKey is AASYVEIEXYWFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-19-8-2-7-18(15-19)17-6-1-4-16(14-17)5-3-9-22-10-12-23(13-11-22)20(24)25/h1-2,4,6-8,14-15H,3,5,9-13H2,(H,24,25).
What are the key properties of 4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid?
4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid has a molecular weight of 358.87 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3-chlorophenyl)phenyl]propyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69457440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).