4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol

C11H18BrN3O — CID 114637377

IUPAC4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2c(Br)cnn2C)CCN1C
InChIInChI=1S/C11H18BrN3O/c1-8-6-11(16,4-5-14(8)2)10-9(12)7-13-15(10)3/h7-8,16H,4-6H2,1-3H3
InChIKeyAGLYUHLZBJPMMW-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.48
Rot. Bonds1

About 4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol

4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol (PubChem CID 114637377) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
PubChem CID114637377
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2c(Br)cnn2C)CCN1C
InChIInChI=1S/C11H18BrN3O/c1-8-6-11(16,4-5-14(8)2)10-9(12)7-13-15(10)3/h7-8,16H,4-6H2,1-3H3
InChIKeyAGLYUHLZBJPMMW-UHFFFAOYSA-N
XLogP1.48
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol
CID 114637212
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
1-(4-bromo-1-methylpyrazol-5-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 114637955
1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol
CID 114636063
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-1,2-dimethylpiperidin-4-ol
CID 114637385
3-(4-bromo-1-methylpyrazol-5-yl)-4-methylthiolan-3-ol
CID 130520171
1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol
CID 112709137
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dihydroinden-1-ol
CID 114633293
4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
CID 116505443
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol?
The IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol (CID 114637377) is 4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol is CC1CC(O)(c2c(Br)cnn2C)CCN1C.
What is the InChIKey of 4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol?
The InChIKey is AGLYUHLZBJPMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-8-6-11(16,4-5-14(8)2)10-9(12)7-13-15(10)3/h7-8,16H,4-6H2,1-3H3.
What are the key properties of 4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol?
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol has a molecular weight of 288.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol is sourced from PubChem (CID 114637377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).