4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine

C14H20BrNO2 — CID 117499537

IUPAC4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
SMILESCOc1c(C)cc(C2CCNCC2)c(OC)c1Br
InChIInChI=1S/C14H20BrNO2/c1-9-8-11(10-4-6-16-7-5-10)14(18-3)12(15)13(9)17-2/h8,10,16H,4-7H2,1-3H3
InChIKeyASSXZUDAMMXVIO-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.24
Rot. Bonds3

About 4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine

4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine (PubChem CID 117499537) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
PubChem CID117499537
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
SMILESCOc1c(C)cc(C2CCNCC2)c(OC)c1Br
InChIInChI=1S/C14H20BrNO2/c1-9-8-11(10-4-6-16-7-5-10)14(18-3)12(15)13(9)17-2/h8,10,16H,4-7H2,1-3H3
InChIKeyASSXZUDAMMXVIO-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
4-(4-bromo-2,3-dimethoxy-6-methylphenyl)piperidine
CID 117499637
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117495082
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117489228
4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 117497386

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine?
The IUPAC name of 4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine (CID 117499537) is 4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine.
What is the SMILES notation for 4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine?
The canonical SMILES for 4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine is COc1c(C)cc(C2CCNCC2)c(OC)c1Br.
What is the InChIKey of 4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine?
The InChIKey is ASSXZUDAMMXVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9-8-11(10-4-6-16-7-5-10)14(18-3)12(15)13(9)17-2/h8,10,16H,4-7H2,1-3H3.
What are the key properties of 4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine?
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine has a molecular weight of 314.22 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine is sourced from PubChem (CID 117499537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).