2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine

C13H17BrFN — CID 117461292

IUPAC2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
SMILESCc1cc(F)c(CC2CCCCN2)cc1Br
InChIInChI=1S/C13H17BrFN/c1-9-6-13(15)10(8-12(9)14)7-11-4-2-3-5-16-11/h6,8,11,16H,2-5,7H2,1H3
InChIKeyFFDIQPCVWLQZAX-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.58
Rot. Bonds2

About 2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine

2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine (PubChem CID 117461292) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
PubChem CID117461292
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
SMILESCc1cc(F)c(CC2CCCCN2)cc1Br
InChIInChI=1S/C13H17BrFN/c1-9-6-13(15)10(8-12(9)14)7-11-4-2-3-5-16-11/h6,8,11,16H,2-5,7H2,1H3
InChIKeyFFDIQPCVWLQZAX-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluoro-4-methyl-5-methylsulfanylphenyl)methyl]pyrrolidine
CID 117351620
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
5-fluoro-2-methyl-6-(piperidin-2-ylmethyl)-1H-indole
CID 117368408
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2,5-dibromo-4-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 81326902
2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine
CID 84813703
2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117319529
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine?
The IUPAC name of 2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine (CID 117461292) is 2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine is Cc1cc(F)c(CC2CCCCN2)cc1Br.
What is the InChIKey of 2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine?
The InChIKey is FFDIQPCVWLQZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-9-6-13(15)10(8-12(9)14)7-11-4-2-3-5-16-11/h6,8,11,16H,2-5,7H2,1H3.
What are the key properties of 2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine?
2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine has a molecular weight of 286.19 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 117461292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).