3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine

C14H20BrNO — CID 117480620

IUPAC3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
SMILESCOc1c(C2CCCNC2)cc(C)c(Br)c1C
InChIInChI=1S/C14H20BrNO/c1-9-7-12(11-5-4-6-16-8-11)14(17-3)10(2)13(9)15/h7,11,16H,4-6,8H2,1-3H3
InChIKeyVOSTVHMICOPVDA-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.54
Rot. Bonds2

About 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine

3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine (PubChem CID 117480620) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine.

Molecular Properties

Compound Name3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
PubChem CID117480620
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
SMILESCOc1c(C2CCCNC2)cc(C)c(Br)c1C
InChIInChI=1S/C14H20BrNO/c1-9-7-12(11-5-4-6-16-8-11)14(17-3)10(2)13(9)15/h7,11,16H,4-6,8H2,1-3H3
InChIKeyVOSTVHMICOPVDA-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497482
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497485
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117495082

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine?
The IUPAC name of 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine (CID 117480620) is 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine.
What is the SMILES notation for 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine?
The canonical SMILES for 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine is COc1c(C2CCCNC2)cc(C)c(Br)c1C.
What is the InChIKey of 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine?
The InChIKey is VOSTVHMICOPVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-7-12(11-5-4-6-16-8-11)14(17-3)10(2)13(9)15/h7,11,16H,4-6,8H2,1-3H3.
What are the key properties of 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine?
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine has a molecular weight of 298.22 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine is sourced from PubChem (CID 117480620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).