3-bromo-1-methyl-6-piperidin-4-yloxyindazole

C13H16BrN3O — CID 177142361

IUPAC3-bromo-1-methyl-6-piperidin-4-yloxyindazole
SMILESCn1nc(Br)c2ccc(OC3CCNCC3)cc21
InChIInChI=1S/C13H16BrN3O/c1-17-12-8-10(2-3-11(12)13(14)16-17)18-9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3
InChIKeyHIIJATOGALMZLT-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.47
Rot. Bonds2

About 3-bromo-1-methyl-6-piperidin-4-yloxyindazole

3-bromo-1-methyl-6-piperidin-4-yloxyindazole (PubChem CID 177142361) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 3-bromo-1-methyl-6-piperidin-4-yloxyindazole.

Molecular Properties

Compound Name3-bromo-1-methyl-6-piperidin-4-yloxyindazole
PubChem CID177142361
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name3-bromo-1-methyl-6-piperidin-4-yloxyindazole
SMILESCn1nc(Br)c2ccc(OC3CCNCC3)cc21
InChIInChI=1S/C13H16BrN3O/c1-17-12-8-10(2-3-11(12)13(14)16-17)18-9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3
InChIKeyHIIJATOGALMZLT-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-methyl-6-pyrrolidin-3-ylindazole
CID 117449510
1-methyl-5-piperidin-4-yloxybenzimidazole
CID 84694843
4-(4-bromo-3-methylphenoxy)piperidine;hydrochloride
CID 56830759
7-piperidin-4-yloxyquinolin-4-amine
CID 175411654
3-methyl-6-piperidin-4-yloxy-2H-indazole
CID 84694870
4-(3-bromo-4-fluorophenoxy)piperidine
CID 83235035
1,6-dimethyl-3-pyrrolidin-3-yloxyindazole
CID 84694851
4-(4-bromo-3,5-dimethylphenoxy)piperidine
CID 107724469
3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride
CID 82021834
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
2-methyl-6-piperidin-4-yloxyquinoline
CID 123255075
5-piperidin-4-yloxy-1,3-benzothiazole
CID 84697896

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-6-piperidin-4-yloxyindazole?
The IUPAC name of 3-bromo-1-methyl-6-piperidin-4-yloxyindazole (CID 177142361) is 3-bromo-1-methyl-6-piperidin-4-yloxyindazole.
What is the SMILES notation for 3-bromo-1-methyl-6-piperidin-4-yloxyindazole?
The canonical SMILES for 3-bromo-1-methyl-6-piperidin-4-yloxyindazole is Cn1nc(Br)c2ccc(OC3CCNCC3)cc21.
What is the InChIKey of 3-bromo-1-methyl-6-piperidin-4-yloxyindazole?
The InChIKey is HIIJATOGALMZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-17-12-8-10(2-3-11(12)13(14)16-17)18-9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 3-bromo-1-methyl-6-piperidin-4-yloxyindazole?
3-bromo-1-methyl-6-piperidin-4-yloxyindazole has a molecular weight of 310.19 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-6-piperidin-4-yloxyindazole is sourced from PubChem (CID 177142361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).