4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine

C13H17BrFN — CID 84813696

IUPAC4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
SMILESCc1ccc(Br)c(CC2CCNCC2)c1F
InChIInChI=1S/C13H17BrFN/c1-9-2-3-12(14)11(13(9)15)8-10-4-6-16-7-5-10/h2-3,10,16H,4-8H2,1H3
InChIKeyBNSFZXUNKNQLEG-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.44
Rot. Bonds2

About 4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine

4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine (PubChem CID 84813696) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
PubChem CID84813696
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
SMILESCc1ccc(Br)c(CC2CCNCC2)c1F
InChIInChI=1S/C13H17BrFN/c1-9-2-3-12(14)11(13(9)15)8-10-4-6-16-7-5-10/h2-3,10,16H,4-8H2,1H3
InChIKeyBNSFZXUNKNQLEG-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine
CID 117491842
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 117486676
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264
6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117491239
3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84800086

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine (CID 84813696) is 4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine is Cc1ccc(Br)c(CC2CCNCC2)c1F.
What is the InChIKey of 4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine?
The InChIKey is BNSFZXUNKNQLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-9-2-3-12(14)11(13(9)15)8-10-4-6-16-7-5-10/h2-3,10,16H,4-8H2,1H3.
What are the key properties of 4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine?
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine has a molecular weight of 286.19 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84813696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).