4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine

C15H22BrNO — CID 117116557

IUPAC4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
SMILESCOc1c(C)c(C)c(C2CCNCC2)c(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-9-10(2)15(18-4)14(16)11(3)13(9)12-5-7-17-8-6-12/h12,17H,5-8H2,1-4H3
InChIKeyBANPEAAUYPZDJW-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.85
Rot. Bonds2

About 4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine

4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine (PubChem CID 117116557) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
PubChem CID117116557
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
SMILESCOc1c(C)c(C)c(C2CCNCC2)c(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-9-10(2)15(18-4)14(16)11(3)13(9)12-5-7-17-8-6-12/h12,17H,5-8H2,1-4H3
InChIKeyBANPEAAUYPZDJW-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine
CID 117480591
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116349
4-(4-bromo-2,3-dimethoxy-6-methylphenyl)piperidine
CID 117499637
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465158
3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116459
4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117497390
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
CID 117489232
5-bromo-4-fluoro-2-methoxy-3-piperidin-4-ylphenol
CID 117489235
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine?
The IUPAC name of 4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine (CID 117116557) is 4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine.
What is the SMILES notation for 4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine?
The canonical SMILES for 4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine is COc1c(C)c(C)c(C2CCNCC2)c(C)c1Br.
What is the InChIKey of 4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine?
The InChIKey is BANPEAAUYPZDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-9-10(2)15(18-4)14(16)11(3)13(9)12-5-7-17-8-6-12/h12,17H,5-8H2,1-4H3.
What are the key properties of 4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine?
4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine has a molecular weight of 312.25 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine is sourced from PubChem (CID 117116557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).