2-bromo-6-piperidin-4-ylphenol

C11H14BrNO — CID 82623407

IUPAC2-bromo-6-piperidin-4-ylphenol
SMILESOc1c(Br)cccc1C1CCNCC1
InChIInChI=1S/C11H14BrNO/c12-10-3-1-2-9(11(10)14)8-4-6-13-7-5-8/h1-3,8,13-14H,4-7H2
InChIKeyLAKHOTVONCVMLK-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.62
Rot. Bonds1

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

2-bromo-6-piperidin-4-ylphenol (PubChem CID 82623407) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-bromo-6-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-bromo-6-piperidin-4-ylphenol
PubChem CID82623407
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-bromo-6-piperidin-4-ylphenol
SMILESOc1c(Br)cccc1C1CCNCC1
InChIInChI=1S/C11H14BrNO/c12-10-3-1-2-9(11(10)14)8-4-6-13-7-5-8/h1-3,8,13-14H,4-7H2
InChIKeyLAKHOTVONCVMLK-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-6-pyrrolidin-3-ylbenzene-1,2-diol
CID 117398339
2-piperazin-1-yl-6-piperidin-4-ylphenol
CID 165349860
3-chloro-6-piperidin-4-ylbenzene-1,2-diol
CID 117327816
2-amino-3-piperidin-4-ylphenol
CID 117103764
2-bromo-4-fluoro-6-piperidin-4-ylphenol
CID 84713813
2-bromo-6-(4-propylcyclohexyl)phenol
CID 162716944
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
2,6-di(cyclobutyl)phenol
CID 57426118
3-bromo-4-piperidin-4-yl-2H-indazole
CID 117449484
2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
CID 131145885

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-piperidin-4-ylphenol?
The IUPAC name of 2-bromo-6-piperidin-4-ylphenol (CID 82623407) is 2-bromo-6-piperidin-4-ylphenol.
What is the SMILES notation for 2-bromo-6-piperidin-4-ylphenol?
The canonical SMILES for 2-bromo-6-piperidin-4-ylphenol is Oc1c(Br)cccc1C1CCNCC1.
What is the InChIKey of 2-bromo-6-piperidin-4-ylphenol?
The InChIKey is LAKHOTVONCVMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-3-1-2-9(11(10)14)8-4-6-13-7-5-8/h1-3,8,13-14H,4-7H2.
What are the key properties of 2-bromo-6-piperidin-4-ylphenol?
2-bromo-6-piperidin-4-ylphenol has a molecular weight of 256.14 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-piperidin-4-ylphenol is sourced from PubChem (CID 82623407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).