2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine

C12H15BrFNO — CID 84814359

IUPAC2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
SMILESCOc1cc(F)c(C2CCCCN2)cc1Br
InChIInChI=1S/C12H15BrFNO/c1-16-12-7-10(14)8(6-9(12)13)11-4-2-3-5-15-11/h6-7,11,15H,2-5H2,1H3
InChIKeyMECTXMBVORVEPH-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.41
Rot. Bonds2

About 2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine

2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine (PubChem CID 84814359) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
PubChem CID84814359
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
SMILESCOc1cc(F)c(C2CCCCN2)cc1Br
InChIInChI=1S/C12H15BrFNO/c1-16-12-7-10(14)8(6-9(12)13)11-4-2-3-5-15-11/h6-7,11,15H,2-5H2,1H3
InChIKeyMECTXMBVORVEPH-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 171194833
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 162046061
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine?
The IUPAC name of 2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine (CID 84814359) is 2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine.
What is the SMILES notation for 2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine?
The canonical SMILES for 2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine is COc1cc(F)c(C2CCCCN2)cc1Br.
What is the InChIKey of 2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine?
The InChIKey is MECTXMBVORVEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-16-12-7-10(14)8(6-9(12)13)11-4-2-3-5-15-11/h6-7,11,15H,2-5H2,1H3.
What are the key properties of 2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine?
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine has a molecular weight of 288.16 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine is sourced from PubChem (CID 84814359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).