2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid

C20H21F2NO4 — CID 72852921

IUPAC2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid
SMILESCOc1cc(F)ccc1C(C(=O)O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C20H21F2NO4/c1-26-18-12-14(22)5-6-17(18)19(20(24)25)23-9-7-15(8-10-23)27-16-4-2-3-13(21)11-16/h2-6,11-12,15,19H,7-10H2,1H3,(H,24,25)
InChIKeyMOKVGXITUFMYKQ-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid

2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid (PubChem CID 72852921) has the molecular formula C20H21F2NO4 and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid
PubChem CID72852921
Molecular FormulaC20H21F2NO4
Molecular Weight377.39 g/mol
Exact Mass377.14
IUPAC Name2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid
SMILESCOc1cc(F)ccc1C(C(=O)O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C20H21F2NO4/c1-26-18-12-14(22)5-6-17(18)19(20(24)25)23-9-7-15(8-10-23)27-16-4-2-3-13(21)11-16/h2-6,11-12,15,19H,7-10H2,1H3,(H,24,25)
InChIKeyMOKVGXITUFMYKQ-UHFFFAOYSA-N
XLogP3.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxy-benzyl)-piperidine-2-carboxylic acid
CID 3929628
(2S)-2-[4-[[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 71451391
(2S)-2-[4-[[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 71456722
US11440884, Example 32
CID 137520903
Ethyl 1-[(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylate;oxalic acid
CID 23724278
2-[[(2S)-4-methoxy-4-oxo-1-(4-phenylmethoxyphenyl)butan-2-yl]-methylamino]acetic acid
CID 117939815
1-Piperazineacetic acid, 4-(2-hydroxyethyl)-alpha-phenyl-, 2,6-xylyl ester, monohydrochloride
CID 209117
{4-[2-(2-Phenylethoxy)benzyl]-3-morpholinyl}acetic acid
CID 56917100
(5-Chloro-2-ethoxyphenyl)(morpholin-4-yl)acetic acid
CID 72838657
2-(2-Ethoxyphenyl)-2-[methyl(oxan-4-ylmethyl)amino]acetic acid
CID 72855241
(2-Fluoro-6-isopropoxyphenyl)(4-methyl-1,4-diazepan-1-YL)acetic acid
CID 72868277
(2-Fluoro-6-isopropoxyphenyl)(pyrrolidin-1-yl)acetic acid
CID 72872296

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid?
The IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid (CID 72852921) is 2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid is COc1cc(F)ccc1C(C(=O)O)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid?
The InChIKey is MOKVGXITUFMYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO4/c1-26-18-12-14(22)5-6-17(18)19(20(24)25)23-9-7-15(8-10-23)27-16-4-2-3-13(21)11-16/h2-6,11-12,15,19H,7-10H2,1H3,(H,24,25).
What are the key properties of 2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid?
2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid has a molecular weight of 377.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenyl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetic acid is sourced from PubChem (CID 72852921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).