3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid

C19H21FN2O2 — CID 133241481

IUPAC3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21FN2O2/c20-17-9-5-4-6-15(17)14-18(19(23)24)22-12-10-21(11-13-22)16-7-2-1-3-8-16/h1-9,18H,10-14H2,(H,23,24)
InChIKeyBBKSTPYCRMCICF-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.64
Rot. Bonds5

About 3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid

3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid (PubChem CID 133241481) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
PubChem CID133241481
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21FN2O2/c20-17-9-5-4-6-15(17)14-18(19(23)24)22-12-10-21(11-13-22)16-7-2-1-3-8-16/h1-9,18H,10-14H2,(H,23,24)
InChIKeyBBKSTPYCRMCICF-UHFFFAOYSA-N
XLogP2.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid
CID 82088132
(2S)-2-(4-phenylpiperazin-1-yl)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100554100
3-(2-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241529
(2S)-3-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 100551898
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 100554250
3-(2,6-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241457
(2R)-3-(2,5-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 100553590
3-(3-bromophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241491
3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241517
4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide
CID 10571202
1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone
CID 30980260
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid (CID 133241481) is 3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid is O=C(O)C(Cc1ccccc1F)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid?
The InChIKey is BBKSTPYCRMCICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-9-5-4-6-15(17)14-18(19(23)24)22-12-10-21(11-13-22)16-7-2-1-3-8-16/h1-9,18H,10-14H2,(H,23,24).
What are the key properties of 3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid?
3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid has a molecular weight of 328.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 133241481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).