3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid

C14H19FN2O2 — CID 84747492

IUPAC3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid
SMILESCC(Cc1ccc(F)cc1)(C(=O)O)N1CCNCC1
InChIInChI=1S/C14H19FN2O2/c1-14(13(18)19,17-8-6-16-7-9-17)10-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3,(H,18,19)
InChIKeyWEPHGNMDKNWETC-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.12
Rot. Bonds4

About 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid

3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid (PubChem CID 84747492) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid
PubChem CID84747492
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid
SMILESCC(Cc1ccc(F)cc1)(C(=O)O)N1CCNCC1
InChIInChI=1S/C14H19FN2O2/c1-14(13(18)19,17-8-6-16-7-9-17)10-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3,(H,18,19)
InChIKeyWEPHGNMDKNWETC-UHFFFAOYSA-N
XLogP1.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid (CID 84747492) is 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid is CC(Cc1ccc(F)cc1)(C(=O)O)N1CCNCC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid?
The InChIKey is WEPHGNMDKNWETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(13(18)19,17-8-6-16-7-9-17)10-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid?
3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid is sourced from PubChem (CID 84747492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).