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

C15H22BrNO — CID 117497390

IUPAC4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
SMILESCOc1c(CC2CCNCC2)cc(C)c(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-10-8-13(9-12-4-6-17-7-5-12)15(18-3)14(16)11(10)2/h8,12,17H,4-7,9H2,1-3H3
InChIKeyBGOVLNKFXXICEB-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.62
Rot. Bonds3

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

4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine (PubChem CID 117497390) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
PubChem CID117497390
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
SMILESCOc1c(CC2CCNCC2)cc(C)c(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-10-8-13(9-12-4-6-17-7-5-12)15(18-3)14(16)11(10)2/h8,12,17H,4-7,9H2,1-3H3
InChIKeyBGOVLNKFXXICEB-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

4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 117497386
4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
CID 84815999
3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 84815949
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
3-[(3-bromo-2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 84812895
3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine
CID 84815947
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine (CID 117497390) is 4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine is COc1c(CC2CCNCC2)cc(C)c(C)c1Br.
What is the InChIKey of 4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine?
The InChIKey is BGOVLNKFXXICEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-8-13(9-12-4-6-17-7-5-12)15(18-3)14(16)11(10)2/h8,12,17H,4-7,9H2,1-3H3.
What are the key properties of 4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine?
4-[(3-bromo-2-methoxy-4,5-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-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 117497390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).