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

C11H12Cl2N2O2 — CID 22037137

IUPAC2-(3,4-dichlorophenyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1c1ccc(Cl)c(Cl)c1
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
LogP2.62
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
SMILESO=C(O)N1CCNCC1c1ccc(Cl)c(Cl)c1
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
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid
CID 150144828
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
2-chloro-4-(1-methylpiperazin-2-yl)phenol
CID 82679784
2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid
CID 157205179
2-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid
CID 22037098
4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 140908351
1-(3,4-dichlorophenyl)-2-phenylpiperazine
CID 64939175
2-(3,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732560
4-(3,4-dichlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120730016
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
tert-butyl (2S)-2-(4-chlorophenyl)piperazine-1-carboxylate
CID 51556790

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 O=C(O)N1CCNCC1c1ccc(Cl)c(Cl)c1.
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 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 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).