1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid

C14H15BrFNO4 — CID 120528184

IUPAC1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(Cc1ccc(Br)c(F)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H15BrFNO4/c15-10-2-1-9(7-11(10)16)8-12(18)17-5-3-14(21,4-6-17)13(19)20/h1-2,7,21H,3-6,8H2,(H,19,20)
InChIKeyKJWJDBSGOJSSQK-UHFFFAOYSA-N
MW360.18 g/mol
LogP1.57
Rot. Bonds3

About 1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid

1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 120528184) has the molecular formula C14H15BrFNO4 and a molecular weight of 360.18 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID120528184
Molecular FormulaC14H15BrFNO4
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(Cc1ccc(Br)c(F)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H15BrFNO4/c15-10-2-1-9(7-11(10)16)8-12(18)17-5-3-14(21,4-6-17)13(19)20/h1-2,7,21H,3-6,8H2,(H,19,20)
InChIKeyKJWJDBSGOJSSQK-UHFFFAOYSA-N
XLogP1.57
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(4-bromo-3-fluorophenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514702
1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251957
1-[2-(2,3-difluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528129
tert-butyl 4-[2-(4-bromo-3-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 156792768
1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512865
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-bromo-3-fluorophenyl)ethanone
CID 176515881
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-bromo-3-fluorophenyl)ethanone;hydrochloride
CID 176515880
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251036
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250956
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 133121724
2-fluoro-4-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzoic acid
CID 166284704

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid (CID 120528184) is 1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(Cc1ccc(Br)c(F)c1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is KJWJDBSGOJSSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO4/c15-10-2-1-9(7-11(10)16)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-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 360.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 120528184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).