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

C14H20BrNO — CID 84815999

IUPAC4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
SMILESCOc1cc(C)cc(CC2CCNCC2)c1Br
InChIInChI=1S/C14H20BrNO/c1-10-7-12(14(15)13(8-10)17-2)9-11-3-5-16-6-4-11/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyAUXNWDYNAPFYDZ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.31
Rot. Bonds3

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

4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine (PubChem CID 84815999) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
PubChem CID84815999
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
SMILESCOc1cc(C)cc(CC2CCNCC2)c1Br
InChIInChI=1S/C14H20BrNO/c1-10-7-12(14(15)13(8-10)17-2)9-11-3-5-16-6-4-11/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyAUXNWDYNAPFYDZ-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine
CID 84815988
4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117497390
3-[(3-bromo-2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 84812895
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 117497386
4-[[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]methyl]piperidine
CID 117455594
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine (CID 84815999) is 4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine is COc1cc(C)cc(CC2CCNCC2)c1Br.
What is the InChIKey of 4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine?
The InChIKey is AUXNWDYNAPFYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-7-12(14(15)13(8-10)17-2)9-11-3-5-16-6-4-11/h7-8,11,16H,3-6,9H2,1-2H3.
What are the key properties of 4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine?
4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine has a molecular weight of 298.22 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84815999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).