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

C14H19FN2O2 — CID 84747494

IUPAC3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid
SMILESCC(Cc1ccccc1F)(C(=O)O)N1CCNCC1
InChIInChI=1S/C14H19FN2O2/c1-14(13(18)19,17-8-6-16-7-9-17)10-11-4-2-3-5-12(11)15/h2-5,16H,6-10H2,1H3,(H,18,19)
InChIKeyXXAPKJXOYAKHDE-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.12
Rot. Bonds4

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

3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid (PubChem CID 84747494) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid
PubChem CID84747494
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid
SMILESCC(Cc1ccccc1F)(C(=O)O)N1CCNCC1
InChIInChI=1S/C14H19FN2O2/c1-14(13(18)19,17-8-6-16-7-9-17)10-11-4-2-3-5-12(11)15/h2-5,16H,6-10H2,1H3,(H,18,19)
InChIKeyXXAPKJXOYAKHDE-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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Related Compounds

CID 6993090
CID 6993090
CID 6992310
CID 6992310
CID 6993120
CID 6993120
CID 76808
CID 76808
CID 96814
CID 96814
CID 2733295
CID 2733295
CID 6951135
CID 6951135
CID 259325
CID 259325
CID 92953
CID 92953
CID 4657542
CID 4657542
CID 97415
CID 97415
CID 435728
CID 435728

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid (CID 84747494) is 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid is CC(Cc1ccccc1F)(C(=O)O)N1CCNCC1.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid?
The InChIKey is XXAPKJXOYAKHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(13(18)19,17-8-6-16-7-9-17)10-11-4-2-3-5-12(11)15/h2-5,16H,6-10H2,1H3,(H,18,19).
What are the key properties of 3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid?
3-(2-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-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoic acid is sourced from PubChem (CID 84747494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).