2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid

C14H15BrFNO4 — CID 63870882

IUPAC2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H15BrFNO4/c15-9-1-2-12(16)11(7-9)14(20)17-5-3-10(4-6-17)21-8-13(18)19/h1-2,7,10H,3-6,8H2,(H,18,19)
InChIKeyIOMMHOUIJKFSMD-UHFFFAOYSA-N
MW360.18 g/mol
LogP2.29
Rot. Bonds4

About 2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid

2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63870882) has the molecular formula C14H15BrFNO4 and a molecular weight of 360.18 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63870882
Molecular FormulaC14H15BrFNO4
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H15BrFNO4/c15-9-1-2-12(16)11(7-9)14(20)17-5-3-10(4-6-17)21-8-13(18)19/h1-2,7,10H,3-6,8H2,(H,18,19)
InChIKeyIOMMHOUIJKFSMD-UHFFFAOYSA-N
XLogP2.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220
2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869208
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
1-(5-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63006897
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
2-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 81441772

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid (CID 63870882) is 2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2cc(Br)ccc2F)CC1.
What is the InChIKey of 2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is IOMMHOUIJKFSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO4/c15-9-1-2-12(16)11(7-9)14(20)17-5-3-10(4-6-17)21-8-13(18)19/h1-2,7,10H,3-6,8H2,(H,18,19).
What are the key properties of 2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 360.18 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63870882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).