2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid

C12H15ClN2O2 — CID 54894929

IUPAC2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid
SMILESO=C(O)C(c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C12H15ClN2O2/c13-10-4-2-1-3-9(10)11(12(16)17)15-7-5-14-6-8-15/h1-4,11,14H,5-8H2,(H,16,17)
InChIKeyNRWWCJZIGGBHMC-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid

2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid (PubChem CID 54894929) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid
PubChem CID54894929
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid
SMILESO=C(O)C(c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C12H15ClN2O2/c13-10-4-2-1-3-9(10)11(12(16)17)15-7-5-14-6-8-15/h1-4,11,14H,5-8H2,(H,16,17)
InChIKeyNRWWCJZIGGBHMC-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid (CID 54894929) is 2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid is O=C(O)C(c1ccccc1Cl)N1CCNCC1.
What is the InChIKey of 2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid?
The InChIKey is NRWWCJZIGGBHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-4-2-1-3-9(10)11(12(16)17)15-7-5-14-6-8-15/h1-4,11,14H,5-8H2,(H,16,17).
What are the key properties of 2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid?
2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid has a molecular weight of 254.72 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 54894929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).