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

C15H22BrNO — CID 117116349

IUPAC2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
SMILESCOc1c(C)c(C)c(C2CCCCN2)c(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-9-10(2)15(18-4)14(16)11(3)13(9)12-7-5-6-8-17-12/h12,17H,5-8H2,1-4H3
InChIKeyVGHMKMUEEOWHKW-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.20
Rot. Bonds2

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

2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine (PubChem CID 117116349) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
PubChem CID117116349
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
SMILESCOc1c(C)c(C)c(C2CCCCN2)c(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-9-10(2)15(18-4)14(16)11(3)13(9)12-7-5-6-8-17-12/h12,17H,5-8H2,1-4H3
InChIKeyVGHMKMUEEOWHKW-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117486587
4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116557
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090
2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117385569
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine?
The IUPAC name of 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine (CID 117116349) is 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine.
What is the SMILES notation for 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine?
The canonical SMILES for 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine is COc1c(C)c(C)c(C2CCCCN2)c(C)c1Br.
What is the InChIKey of 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine?
The InChIKey is VGHMKMUEEOWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-9-10(2)15(18-4)14(16)11(3)13(9)12-7-5-6-8-17-12/h12,17H,5-8H2,1-4H3.
What are the key properties of 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine?
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine has a molecular weight of 312.25 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine is sourced from PubChem (CID 117116349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).