2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid

C11H12Cl2N2O2 — CID 22037137

IUPAC2-(3,4-dichlorophenyl)piperazine-1-carboxylic acid
SMILESC1CN(C(CN1)C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChIInChI=1S/C11H12Cl2N2O2/c12-8-2-1-7(5-9(8)13)10-6-14-3-4-15(10)11(16)17/h1-2,5,10,14H,3-4,6H2,(H,16,17)
InChIKeyVNVQBRRPWZODEL-UHFFFAOYSA-N
MW275.13 g/mol
LogP-0.40
Rot. Bonds1

About 2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid

2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid (PubChem CID 22037137) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid
PubChem CID22037137
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2-(3,4-dichlorophenyl)piperazine-1-carboxylic acid
SMILESC1CN(C(CN1)C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChIInChI=1S/C11H12Cl2N2O2/c12-8-2-1-7(5-9(8)13)10-6-14-3-4-15(10)11(16)17/h1-2,5,10,14H,3-4,6H2,(H,16,17)
InChIKeyVNVQBRRPWZODEL-UHFFFAOYSA-N
XLogP-0.40
TPSA52.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity291

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid (CID 22037137) is 2-(3,4-dichlorophenyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid is C1CN(C(CN1)C2=CC(=C(C=C2)Cl)Cl)C(=O)O.
What is the InChIKey of 2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid?
The InChIKey is VNVQBRRPWZODEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-8-2-1-7(5-9(8)13)10-6-14-3-4-15(10)11(16)17/h1-2,5,10,14H,3-4,6H2,(H,16,17).
What are the key properties of 2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid?
2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid has a molecular weight of 275.13 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-Dichlorophenyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22037137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).