5-bromo-4-methoxy-2-piperidin-2-ylphenol

C12H16BrNO2 — CID 117460918

IUPAC5-bromo-4-methoxy-2-piperidin-2-ylphenol
SMILESCOc1cc(C2CCCCN2)c(O)cc1Br
InChIInChI=1S/C12H16BrNO2/c1-16-12-6-8(11(15)7-9(12)13)10-4-2-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3
InChIKeyFKOOPQHJXSGGES-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.98
Rot. Bonds2

About 5-bromo-4-methoxy-2-piperidin-2-ylphenol

5-bromo-4-methoxy-2-piperidin-2-ylphenol (PubChem CID 117460918) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-piperidin-2-ylphenol.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-piperidin-2-ylphenol
PubChem CID117460918
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-bromo-4-methoxy-2-piperidin-2-ylphenol
SMILESCOc1cc(C2CCCCN2)c(O)cc1Br
InChIInChI=1S/C12H16BrNO2/c1-16-12-6-8(11(15)7-9(12)13)10-4-2-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3
InChIKeyFKOOPQHJXSGGES-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
2-(2,4-dibromo-5-methoxyphenyl)azetidine
CID 130043119
2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
CID 117413709
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-piperidin-2-ylphenol?
The IUPAC name of 5-bromo-4-methoxy-2-piperidin-2-ylphenol (CID 117460918) is 5-bromo-4-methoxy-2-piperidin-2-ylphenol.
What is the SMILES notation for 5-bromo-4-methoxy-2-piperidin-2-ylphenol?
The canonical SMILES for 5-bromo-4-methoxy-2-piperidin-2-ylphenol is COc1cc(C2CCCCN2)c(O)cc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-piperidin-2-ylphenol?
The InChIKey is FKOOPQHJXSGGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-16-12-6-8(11(15)7-9(12)13)10-4-2-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3.
What are the key properties of 5-bromo-4-methoxy-2-piperidin-2-ylphenol?
5-bromo-4-methoxy-2-piperidin-2-ylphenol has a molecular weight of 286.17 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-piperidin-2-ylphenol is sourced from PubChem (CID 117460918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).