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

C12H15BrFNO — CID 117465059

IUPAC2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
SMILESCOc1c(Br)ccc(F)c1C1CCCCN1
InChIInChI=1S/C12H15BrFNO/c1-16-12-8(13)5-6-9(14)11(12)10-4-2-3-7-15-10/h5-6,10,15H,2-4,7H2,1H3
InChIKeyIMHAFBMJWDTYJN-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.41
Rot. Bonds2

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

2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine (PubChem CID 117465059) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
PubChem CID117465059
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
SMILESCOc1c(Br)ccc(F)c1C1CCCCN1
InChIInChI=1S/C12H15BrFNO/c1-16-12-8(13)5-6-9(14)11(12)10-4-2-3-7-15-10/h5-6,10,15H,2-4,7H2,1H3
InChIKeyIMHAFBMJWDTYJN-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-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117486587
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465158
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine?
The IUPAC name of 2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine (CID 117465059) is 2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine.
What is the SMILES notation for 2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine?
The canonical SMILES for 2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine is COc1c(Br)ccc(F)c1C1CCCCN1.
What is the InChIKey of 2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine?
The InChIKey is IMHAFBMJWDTYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-16-12-8(13)5-6-9(14)11(12)10-4-2-3-7-15-10/h5-6,10,15H,2-4,7H2,1H3.
What are the key properties of 2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine?
2-(3-bromo-6-fluoro-2-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-6-fluoro-2-methoxyphenyl)piperidine is sourced from PubChem (CID 117465059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).