3-(3-bromo-5-methoxy-4-methylphenyl)piperidine

C13H18BrNO — CID 117457367

IUPAC3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
SMILESCOc1cc(C2CCCNC2)cc(Br)c1C
InChIInChI=1S/C13H18BrNO/c1-9-12(14)6-11(7-13(9)16-2)10-4-3-5-15-8-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyUOAZHVDDDLJFPD-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.23
Rot. Bonds2

About 3-(3-bromo-5-methoxy-4-methylphenyl)piperidine

3-(3-bromo-5-methoxy-4-methylphenyl)piperidine (PubChem CID 117457367) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-(3-bromo-5-methoxy-4-methylphenyl)piperidine.

Molecular Properties

Compound Name3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
PubChem CID117457367
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
SMILESCOc1cc(C2CCCNC2)cc(Br)c1C
InChIInChI=1S/C13H18BrNO/c1-9-12(14)6-11(7-13(9)16-2)10-4-3-5-15-8-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyUOAZHVDDDLJFPD-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
CID 117465048
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
CID 117320080
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
2-methoxy-6-methyl-4-piperidin-3-ylpyridine
CID 146284880
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methoxy-4-methylphenyl)piperidine?
The IUPAC name of 3-(3-bromo-5-methoxy-4-methylphenyl)piperidine (CID 117457367) is 3-(3-bromo-5-methoxy-4-methylphenyl)piperidine.
What is the SMILES notation for 3-(3-bromo-5-methoxy-4-methylphenyl)piperidine?
The canonical SMILES for 3-(3-bromo-5-methoxy-4-methylphenyl)piperidine is COc1cc(C2CCCNC2)cc(Br)c1C.
What is the InChIKey of 3-(3-bromo-5-methoxy-4-methylphenyl)piperidine?
The InChIKey is UOAZHVDDDLJFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-12(14)6-11(7-13(9)16-2)10-4-3-5-15-8-10/h6-7,10,15H,3-5,8H2,1-2H3.
What are the key properties of 3-(3-bromo-5-methoxy-4-methylphenyl)piperidine?
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine has a molecular weight of 284.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methoxy-4-methylphenyl)piperidine is sourced from PubChem (CID 117457367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).