4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid

C12H15FN2O2 — CID 66509723

IUPAC4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(c2ccc(F)cc2)CC1C(=O)O
InChIInChI=1S/C12H15FN2O2/c1-14-6-7-15(8-11(14)12(16)17)10-4-2-9(13)3-5-10/h2-5,11H,6-8H2,1H3,(H,16,17)
InChIKeyZJXIGZPJUCWWLO-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.03
Rot. Bonds2

About 4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid

4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid (PubChem CID 66509723) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
PubChem CID66509723
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(c2ccc(F)cc2)CC1C(=O)O
InChIInChI=1S/C12H15FN2O2/c1-14-6-7-15(8-11(14)12(16)17)10-4-2-9(13)3-5-10/h2-5,11H,6-8H2,1H3,(H,16,17)
InChIKeyZJXIGZPJUCWWLO-UHFFFAOYSA-N
XLogP1.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid (CID 66509723) is 4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid is CN1CCN(c2ccc(F)cc2)CC1C(=O)O.
What is the InChIKey of 4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid?
The InChIKey is ZJXIGZPJUCWWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-14-6-7-15(8-11(14)12(16)17)10-4-2-9(13)3-5-10/h2-5,11H,6-8H2,1H3,(H,16,17).
What are the key properties of 4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid?
4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 66509723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).