(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid

C20H23FN2O2 — CID 97135183

IUPAC(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
SMILESCc1cccc([C@H](C(=O)O)N2CCN(c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C20H23FN2O2/c1-14-4-3-5-18(15(14)2)19(20(24)25)23-12-10-22(11-13-23)17-8-6-16(21)7-9-17/h3-9,19H,10-13H2,1-2H3,(H,24,25)/t19-/m1/s1
InChIKeyYPSAINAREUUERV-LJQANCHMSA-N
MW342.41 g/mol
LogP3.39
Rot. Bonds4

About (2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid

(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid (PubChem CID 97135183) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
PubChem CID97135183
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
SMILESCc1cccc([C@H](C(=O)O)N2CCN(c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C20H23FN2O2/c1-14-4-3-5-18(15(14)2)19(20(24)25)23-12-10-22(11-13-23)17-8-6-16(21)7-9-17/h3-9,19H,10-13H2,1-2H3,(H,24,25)/t19-/m1/s1
InChIKeyYPSAINAREUUERV-LJQANCHMSA-N
XLogP3.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid
CID 86309571
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetic acid
CID 42652964
(2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 29128233
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42535984
N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 51361398
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 97135003
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 75365752
(2S)-2-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(3-fluorophenyl)acetic acid
CID 97135036
2-(2-fluoro-5-methoxyphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetic acid
CID 72862528
3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
CID 63069456
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The IUPAC name of (2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid (CID 97135183) is (2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid is Cc1cccc([C@H](C(=O)O)N2CCN(c3ccc(F)cc3)CC2)c1C.
What is the InChIKey of (2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The InChIKey is YPSAINAREUUERV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-4-3-5-18(15(14)2)19(20(24)25)23-12-10-22(11-13-23)17-8-6-16(21)7-9-17/h3-9,19H,10-13H2,1-2H3,(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid has a molecular weight of 342.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 97135183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).