4-bromo-2-piperidin-2-ylphenol

C11H14BrNO — CID 82623427

IUPAC4-bromo-2-piperidin-2-ylphenol
SMILESOc1ccc(Br)cc1C1CCCCN1
InChIInChI=1S/C11H14BrNO/c12-8-4-5-11(14)9(7-8)10-3-1-2-6-13-10/h4-5,7,10,13-14H,1-3,6H2
InChIKeyKZPUZXACQMCMAR-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.97
Rot. Bonds1

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

4-bromo-2-piperidin-2-ylphenol (PubChem CID 82623427) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-bromo-2-piperidin-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-piperidin-2-ylphenol
PubChem CID82623427
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-bromo-2-piperidin-2-ylphenol
SMILESOc1ccc(Br)cc1C1CCCCN1
InChIInChI=1S/C11H14BrNO/c12-8-4-5-11(14)9(7-8)10-3-1-2-6-13-10/h4-5,7,10,13-14H,1-3,6H2
InChIKeyKZPUZXACQMCMAR-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
2-(2,4-dibromophenyl)azepane
CID 107938538
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
4-bromo-2-cyclopentylphenol
CID 23090734
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
4-bromo-2-cyclohexylphenol
CID 22134516
(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine
CID 42579904
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-piperidin-2-ylphenol?
The IUPAC name of 4-bromo-2-piperidin-2-ylphenol (CID 82623427) is 4-bromo-2-piperidin-2-ylphenol.
What is the SMILES notation for 4-bromo-2-piperidin-2-ylphenol?
The canonical SMILES for 4-bromo-2-piperidin-2-ylphenol is Oc1ccc(Br)cc1C1CCCCN1.
What is the InChIKey of 4-bromo-2-piperidin-2-ylphenol?
The InChIKey is KZPUZXACQMCMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-8-4-5-11(14)9(7-8)10-3-1-2-6-13-10/h4-5,7,10,13-14H,1-3,6H2.
What are the key properties of 4-bromo-2-piperidin-2-ylphenol?
4-bromo-2-piperidin-2-ylphenol has a molecular weight of 256.14 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-piperidin-2-ylphenol is sourced from PubChem (CID 82623427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).