4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine

C15H22BrNO — CID 117497386

IUPAC4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
SMILESCOc1c(C)cc(C)c(Br)c1CC1CCNCC1
InChIInChI=1S/C15H22BrNO/c1-10-8-11(2)15(18-3)13(14(10)16)9-12-4-6-17-7-5-12/h8,12,17H,4-7,9H2,1-3H3
InChIKeyGNSFPFLHZMJLMT-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.62
Rot. Bonds3

About 4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine

4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine (PubChem CID 117497386) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
PubChem CID117497386
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
SMILESCOc1c(C)cc(C)c(Br)c1CC1CCNCC1
InChIInChI=1S/C15H22BrNO/c1-10-8-11(2)15(18-3)13(14(10)16)9-12-4-6-17-7-5-12/h8,12,17H,4-7,9H2,1-3H3
InChIKeyGNSFPFLHZMJLMT-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine
CID 84815947
4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117497390
4-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387720
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117387735
4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
CID 84815999
4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine
CID 84815988
3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 84815949
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine (CID 117497386) is 4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine is COc1c(C)cc(C)c(Br)c1CC1CCNCC1.
What is the InChIKey of 4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine?
The InChIKey is GNSFPFLHZMJLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-8-11(2)15(18-3)13(14(10)16)9-12-4-6-17-7-5-12/h8,12,17H,4-7,9H2,1-3H3.
What are the key properties of 4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine?
4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine has a molecular weight of 312.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 117497386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).