3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine

C14H20BrNO — CID 117480622

IUPAC3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
SMILESCOc1c(C)cc(Br)c(C)c1C1CCCNC1
InChIInChI=1S/C14H20BrNO/c1-9-7-12(15)10(2)13(14(9)17-3)11-5-4-6-16-8-11/h7,11,16H,4-6,8H2,1-3H3
InChIKeyINBDNBQYHAMVBU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.54
Rot. Bonds2

About 3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine

3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine (PubChem CID 117480622) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
PubChem CID117480622
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
SMILESCOc1c(C)cc(Br)c(C)c1C1CCCNC1
InChIInChI=1S/C14H20BrNO/c1-9-7-12(15)10(2)13(14(9)17-3)11-5-4-6-16-8-11/h7,11,16H,4-6,8H2,1-3H3
InChIKeyINBDNBQYHAMVBU-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-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
CID 117456300
4-bromo-2-methoxy-3-piperidin-3-ylphenol
CID 117460905
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116459
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497482

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine?
The IUPAC name of 3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine (CID 117480622) is 3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine.
What is the SMILES notation for 3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine?
The canonical SMILES for 3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine is COc1c(C)cc(Br)c(C)c1C1CCCNC1.
What is the InChIKey of 3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine?
The InChIKey is INBDNBQYHAMVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-7-12(15)10(2)13(14(9)17-3)11-5-4-6-16-8-11/h7,11,16H,4-6,8H2,1-3H3.
What are the key properties of 3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine?
3-(5-bromo-2-methoxy-3,6-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-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine is sourced from PubChem (CID 117480622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).