3-bromo-5-methyl-2-piperidin-2-ylphenol

C12H16BrNO — CID 84808995

IUPAC3-bromo-5-methyl-2-piperidin-2-ylphenol
SMILESCc1cc(O)c(C2CCCCN2)c(Br)c1
InChIInChI=1S/C12H16BrNO/c1-8-6-9(13)12(11(15)7-8)10-4-2-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3
InChIKeyQJWMWNLAZCPNIS-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.28
Rot. Bonds1

About 3-bromo-5-methyl-2-piperidin-2-ylphenol

3-bromo-5-methyl-2-piperidin-2-ylphenol (PubChem CID 84808995) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-piperidin-2-ylphenol.

Molecular Properties

Compound Name3-bromo-5-methyl-2-piperidin-2-ylphenol
PubChem CID84808995
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-bromo-5-methyl-2-piperidin-2-ylphenol
SMILESCc1cc(O)c(C2CCCCN2)c(Br)c1
InChIInChI=1S/C12H16BrNO/c1-8-6-9(13)12(11(15)7-8)10-4-2-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3
InChIKeyQJWMWNLAZCPNIS-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-5-methyl-2-piperidin-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
CID 84782063
5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol
CID 117468272
2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol
CID 131482992
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117489094
4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole
CID 84645394
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol
CID 131447438

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-piperidin-2-ylphenol?
The IUPAC name of 3-bromo-5-methyl-2-piperidin-2-ylphenol (CID 84808995) is 3-bromo-5-methyl-2-piperidin-2-ylphenol.
What is the SMILES notation for 3-bromo-5-methyl-2-piperidin-2-ylphenol?
The canonical SMILES for 3-bromo-5-methyl-2-piperidin-2-ylphenol is Cc1cc(O)c(C2CCCCN2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-2-piperidin-2-ylphenol?
The InChIKey is QJWMWNLAZCPNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-6-9(13)12(11(15)7-8)10-4-2-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3.
What are the key properties of 3-bromo-5-methyl-2-piperidin-2-ylphenol?
3-bromo-5-methyl-2-piperidin-2-ylphenol has a molecular weight of 270.17 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-piperidin-2-ylphenol is sourced from PubChem (CID 84808995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).