2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid

C14H19FN2O2 — CID 61342532

IUPAC2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(C(C)(C(=O)O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O2/c1-14(13(18)19,11-3-5-12(15)6-4-11)17-9-7-16(2)8-10-17/h3-6H,7-10H2,1-2H3,(H,18,19)
InChIKeyGHDRCJIVECUNKC-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid

2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid (PubChem CID 61342532) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
PubChem CID61342532
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(C(C)(C(=O)O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O2/c1-14(13(18)19,11-3-5-12(15)6-4-11)17-9-7-16(2)8-10-17/h3-6H,7-10H2,1-2H3,(H,18,19)
InChIKeyGHDRCJIVECUNKC-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid (CID 61342532) is 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid is CN1CCN(C(C)(C(=O)O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid?
The InChIKey is GHDRCJIVECUNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(13(18)19,11-3-5-12(15)6-4-11)17-9-7-16(2)8-10-17/h3-6H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid?
2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 61342532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).