2-bromo-6-methyl-4-piperidin-4-ylphenol

C12H16BrNO — CID 84712705

IUPAC2-bromo-6-methyl-4-piperidin-4-ylphenol
SMILESCc1cc(C2CCNCC2)cc(Br)c1O
InChIInChI=1S/C12H16BrNO/c1-8-6-10(7-11(13)12(8)15)9-2-4-14-5-3-9/h6-7,9,14-15H,2-5H2,1H3
InChIKeyMCDVRYXCEXSVMR-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.93
Rot. Bonds1

About 2-bromo-6-methyl-4-piperidin-4-ylphenol

2-bromo-6-methyl-4-piperidin-4-ylphenol (PubChem CID 84712705) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-6-methyl-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-bromo-6-methyl-4-piperidin-4-ylphenol
PubChem CID84712705
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-6-methyl-4-piperidin-4-ylphenol
SMILESCc1cc(C2CCNCC2)cc(Br)c1O
InChIInChI=1S/C12H16BrNO/c1-8-6-10(7-11(13)12(8)15)9-2-4-14-5-3-9/h6-7,9,14-15H,2-5H2,1H3
InChIKeyMCDVRYXCEXSVMR-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol
CID 164546047
2,3-dimethyl-5-piperidin-4-ylphenol
CID 117293924
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol
CID 84808877
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol
CID 117465152
2-bromo-4-fluoro-6-piperidin-4-ylphenol
CID 84713813
4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine
CID 117480594
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide
CID 171365208
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365207
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-4-piperidin-4-ylphenol?
The IUPAC name of 2-bromo-6-methyl-4-piperidin-4-ylphenol (CID 84712705) is 2-bromo-6-methyl-4-piperidin-4-ylphenol.
What is the SMILES notation for 2-bromo-6-methyl-4-piperidin-4-ylphenol?
The canonical SMILES for 2-bromo-6-methyl-4-piperidin-4-ylphenol is Cc1cc(C2CCNCC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methyl-4-piperidin-4-ylphenol?
The InChIKey is MCDVRYXCEXSVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-6-10(7-11(13)12(8)15)9-2-4-14-5-3-9/h6-7,9,14-15H,2-5H2,1H3.
What are the key properties of 2-bromo-6-methyl-4-piperidin-4-ylphenol?
2-bromo-6-methyl-4-piperidin-4-ylphenol has a molecular weight of 270.17 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-4-piperidin-4-ylphenol is sourced from PubChem (CID 84712705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).