2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine

C12H15BrFNO — CID 84814358

IUPAC2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
SMILESCOc1ccc(Br)c(F)c1C1CCCCN1
InChIInChI=1S/C12H15BrFNO/c1-16-10-6-5-8(13)12(14)11(10)9-4-2-3-7-15-9/h5-6,9,15H,2-4,7H2,1H3
InChIKeyCOHROUHBAUDCIB-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.41
Rot. Bonds2

About 2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine

2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine (PubChem CID 84814358) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
PubChem CID84814358
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
SMILESCOc1ccc(Br)c(F)c1C1CCCCN1
InChIInChI=1S/C12H15BrFNO/c1-16-10-6-5-8(13)12(14)11(10)9-4-2-3-7-15-9/h5-6,9,15H,2-4,7H2,1H3
InChIKeyCOHROUHBAUDCIB-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-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527
4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117489094
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131252293
3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117359415

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine?
The IUPAC name of 2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine (CID 84814358) is 2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine.
What is the SMILES notation for 2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine?
The canonical SMILES for 2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine is COc1ccc(Br)c(F)c1C1CCCCN1.
What is the InChIKey of 2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine?
The InChIKey is COHROUHBAUDCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-16-10-6-5-8(13)12(14)11(10)9-4-2-3-7-15-9/h5-6,9,15H,2-4,7H2,1H3.
What are the key properties of 2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine?
2-(3-bromo-2-fluoro-6-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-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine is sourced from PubChem (CID 84814358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).