4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine

C14H20BrNO — CID 84815988

IUPAC4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine
SMILESCOc1cc(C)cc(Br)c1CC1CCNCC1
InChIInChI=1S/C14H20BrNO/c1-10-7-13(15)12(14(8-10)17-2)9-11-3-5-16-6-4-11/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyLNCKNLQHUBJPGZ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.31
Rot. Bonds3

About 4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine

4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine (PubChem CID 84815988) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine
PubChem CID84815988
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine
SMILESCOc1cc(C)cc(Br)c1CC1CCNCC1
InChIInChI=1S/C14H20BrNO/c1-10-7-13(15)12(14(8-10)17-2)9-11-3-5-16-6-4-11/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyLNCKNLQHUBJPGZ-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-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
CID 84815999
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 117497386
3-[(3-bromo-2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 84812895
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine
CID 117480594
4-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928492
2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
CID 11436497
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline
CID 117379596
2-methoxy-4,6-dimethyl-N-(2-piperidin-4-ylethyl)aniline
CID 115211539
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine (CID 84815988) is 4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine is COc1cc(C)cc(Br)c1CC1CCNCC1.
What is the InChIKey of 4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine?
The InChIKey is LNCKNLQHUBJPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-7-13(15)12(14(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-6-methoxy-4-methylphenyl)methyl]piperidine?
4-[(2-bromo-6-methoxy-4-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-6-methoxy-4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84815988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).