(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid

C18H18F2N2O2 — CID 97135011

IUPAC(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
SMILESO=C(O)[C@H](c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18F2N2O2/c19-14-3-1-13(2-4-14)17(18(23)24)22-11-9-21(10-12-22)16-7-5-15(20)6-8-16/h1-8,17H,9-12H2,(H,23,24)/t17-/m0/s1
InChIKeyGLRJIIIBWBGYIV-KRWDZBQOSA-N
MW332.35 g/mol
LogP2.91
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid

(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid (PubChem CID 97135011) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
PubChem CID97135011
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
SMILESO=C(O)[C@H](c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18F2N2O2/c19-14-3-1-13(2-4-14)17(18(23)24)22-11-9-21(10-12-22)16-7-5-15(20)6-8-16/h1-8,17H,9-12H2,(H,23,24)/t17-/m0/s1
InChIKeyGLRJIIIBWBGYIV-KRWDZBQOSA-N
XLogP2.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid
CID 86309571
(2S)-2-(4-fluorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 25418490
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
methyl 2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetate
CID 86879116
2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
CID 82345138
(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135183
(2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 29128233
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid (CID 97135011) is (2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid is O=C(O)[C@H](c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
The InChIKey is GLRJIIIBWBGYIV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-14-3-1-13(2-4-14)17(18(23)24)22-11-9-21(10-12-22)16-7-5-15(20)6-8-16/h1-8,17H,9-12H2,(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid?
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid has a molecular weight of 332.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 97135011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).