3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole

C13H16BrN3 — CID 117474538

IUPAC3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole
SMILESBrc1[nH]nc2c(CC3CCCCN3)cccc12
InChIInChI=1S/C13H16BrN3/c14-13-11-6-3-4-9(12(11)16-17-13)8-10-5-1-2-7-15-10/h3-4,6,10,15H,1-2,5,7-8H2,(H,16,17)
InChIKeyWEROPYMFFFVVJU-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.01
Rot. Bonds2

About 3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole

3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole (PubChem CID 117474538) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole.

Molecular Properties

Compound Name3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole
PubChem CID117474538
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole
SMILESBrc1[nH]nc2c(CC3CCCCN3)cccc12
InChIInChI=1S/C13H16BrN3/c14-13-11-6-3-4-9(12(11)16-17-13)8-10-5-1-2-7-15-10/h3-4,6,10,15H,1-2,5,7-8H2,(H,16,17)
InChIKeyWEROPYMFFFVVJU-UHFFFAOYSA-N
XLogP3.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole
CID 84696786
2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine
CID 117474525
3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole
CID 117449482
2-[(3-bromo-1-benzofuran-7-yl)methyl]pyrrolidine
CID 117449480
2-(piperidin-2-ylmethyl)aniline
CID 84662844
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 117368074
2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine
CID 23146342
4-bromo-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84645389
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole?
The IUPAC name of 3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole (CID 117474538) is 3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole.
What is the SMILES notation for 3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole?
The canonical SMILES for 3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole is Brc1[nH]nc2c(CC3CCCCN3)cccc12.
What is the InChIKey of 3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole?
The InChIKey is WEROPYMFFFVVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-13-11-6-3-4-9(12(11)16-17-13)8-10-5-1-2-7-15-10/h3-4,6,10,15H,1-2,5,7-8H2,(H,16,17).
What are the key properties of 3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole?
3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole has a molecular weight of 294.20 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole is sourced from PubChem (CID 117474538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).