1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid

C14H15BrFNO5 — CID 119251036

IUPAC1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(COc1ccc(Br)cc1F)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H15BrFNO5/c15-9-1-2-11(10(16)7-9)22-8-12(18)17-5-3-14(21,4-6-17)13(19)20/h1-2,7,21H,3-6,8H2,(H,19,20)
InChIKeyNZKQDAAKZVHCGT-UHFFFAOYSA-N
MW376.18 g/mol
LogP1.41
Rot. Bonds4

About 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid

1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251036) has the molecular formula C14H15BrFNO5 and a molecular weight of 376.18 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251036
Molecular FormulaC14H15BrFNO5
Molecular Weight376.18 g/mol
Exact Mass375.01
IUPAC Name1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(COc1ccc(Br)cc1F)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H15BrFNO5/c15-9-1-2-11(10(16)7-9)22-8-12(18)17-5-3-14(21,4-6-17)13(19)20/h1-2,7,21H,3-6,8H2,(H,19,20)
InChIKeyNZKQDAAKZVHCGT-UHFFFAOYSA-N
XLogP1.41
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.18
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
2-(4-bromo-2-fluorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 31564856
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721201
ethyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]piperidine-4-carboxylate
CID 78766115
2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 26365760
2-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30292786
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 25477037
2-(2,4-difluorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727182
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone
CID 119485838
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 115918563
2-(4-bromo-2-fluorophenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 17498992

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251036) is 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(COc1ccc(Br)cc1F)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is NZKQDAAKZVHCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO5/c15-9-1-2-11(10(16)7-9)22-8-12(18)17-5-3-14(21,4-6-17)13(19)20/h1-2,7,21H,3-6,8H2,(H,19,20).
What are the key properties of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 376.18 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).