2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine

C13H17BrFNO — CID 117486581

IUPAC2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine
SMILESCOCc1cc(Br)c(F)c(C2CCCCN2)c1
InChIInChI=1S/C13H17BrFNO/c1-17-8-9-6-10(13(15)11(14)7-9)12-4-2-3-5-16-12/h6-7,12,16H,2-5,8H2,1H3
InChIKeyVFYRFFNOXSHLBB-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.55
Rot. Bonds3

About 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine

2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine (PubChem CID 117486581) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine.

Molecular Properties

Compound Name2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine
PubChem CID117486581
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine
SMILESCOCc1cc(Br)c(F)c(C2CCCCN2)c1
InChIInChI=1S/C13H17BrFNO/c1-17-8-9-6-10(13(15)11(14)7-9)12-4-2-3-5-16-12/h6-7,12,16H,2-5,8H2,1H3
InChIKeyVFYRFFNOXSHLBB-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
CID 117457372
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine
CID 117409054
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
2-(4-bromo-2-fluoro-3-methylphenyl)piperidine
CID 117432838
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine
CID 117343126
4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117489094
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
CID 117381690

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine?
The IUPAC name of 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine (CID 117486581) is 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine.
What is the SMILES notation for 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine?
The canonical SMILES for 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine is COCc1cc(Br)c(F)c(C2CCCCN2)c1.
What is the InChIKey of 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine?
The InChIKey is VFYRFFNOXSHLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-17-8-9-6-10(13(15)11(14)7-9)12-4-2-3-5-16-12/h6-7,12,16H,2-5,8H2,1H3.
What are the key properties of 2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine?
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine has a molecular weight of 302.19 g/mol, XLogP of 3.55, 3 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-5-(methoxymethyl)phenyl]piperidine is sourced from PubChem (CID 117486581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).