2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine

C13H17BrFNO — CID 117486587

IUPAC2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
SMILESCOc1c(Br)cc(F)c(C)c1C1CCCCN1
InChIInChI=1S/C13H17BrFNO/c1-8-10(15)7-9(14)13(17-2)12(8)11-5-3-4-6-16-11/h7,11,16H,3-6H2,1-2H3
InChIKeyWWPDTIHNSBOCLJ-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.72
Rot. Bonds2

About 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine

2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine (PubChem CID 117486587) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
PubChem CID117486587
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
SMILESCOc1c(Br)cc(F)c(C)c1C1CCCCN1
InChIInChI=1S/C13H17BrFNO/c1-8-10(15)7-9(14)13(17-2)12(8)11-5-3-4-6-16-11/h7,11,16H,3-6H2,1-2H3
InChIKeyWWPDTIHNSBOCLJ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine
CID 84801356
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116349
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971
2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117385569
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine?
The IUPAC name of 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine (CID 117486587) is 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine.
What is the SMILES notation for 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine?
The canonical SMILES for 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine is COc1c(Br)cc(F)c(C)c1C1CCCCN1.
What is the InChIKey of 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine?
The InChIKey is WWPDTIHNSBOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-8-10(15)7-9(14)13(17-2)12(8)11-5-3-4-6-16-11/h7,11,16H,3-6H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine?
2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine has a molecular weight of 302.19 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine is sourced from PubChem (CID 117486587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).