3-bromo-1-(2-piperidin-1-ylethyl)indazole

C14H18BrN3 — CID 23324109

IUPAC3-bromo-1-(2-piperidin-1-ylethyl)indazole
SMILESBrc1nn(CCN2CCCCC2)c2ccccc12
InChIInChI=1S/C14H18BrN3/c15-14-12-6-2-3-7-13(12)18(16-14)11-10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-11H2
InChIKeyLYRYAEMKQHBPCO-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.28
Rot. Bonds3

About 3-bromo-1-(2-piperidin-1-ylethyl)indazole

3-bromo-1-(2-piperidin-1-ylethyl)indazole (PubChem CID 23324109) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-bromo-1-(2-piperidin-1-ylethyl)indazole.

Molecular Properties

Compound Name3-bromo-1-(2-piperidin-1-ylethyl)indazole
PubChem CID23324109
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name3-bromo-1-(2-piperidin-1-ylethyl)indazole
SMILESBrc1nn(CCN2CCCCC2)c2ccccc12
InChIInChI=1S/C14H18BrN3/c15-14-12-6-2-3-7-13(12)18(16-14)11-10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-11H2
InChIKeyLYRYAEMKQHBPCO-UHFFFAOYSA-N
XLogP3.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(azepan-1-yl)propyl]-3-bromoindazole
CID 54493358
N-[3-bromo-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-2-(4-phenoxyphenyl)acetamide
CID 11504558
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
CID 99841300
6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
CID 7664936
3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole
CID 123502143
N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
CID 18969248
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272032
3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol
CID 135736086
3-[3-(azepan-1-yl)propoxy]-1-[(4-chlorophenyl)methyl]indazole
CID 67964835
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065
1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole
CID 144721935

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-piperidin-1-ylethyl)indazole?
The IUPAC name of 3-bromo-1-(2-piperidin-1-ylethyl)indazole (CID 23324109) is 3-bromo-1-(2-piperidin-1-ylethyl)indazole.
What is the SMILES notation for 3-bromo-1-(2-piperidin-1-ylethyl)indazole?
The canonical SMILES for 3-bromo-1-(2-piperidin-1-ylethyl)indazole is Brc1nn(CCN2CCCCC2)c2ccccc12.
What is the InChIKey of 3-bromo-1-(2-piperidin-1-ylethyl)indazole?
The InChIKey is LYRYAEMKQHBPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c15-14-12-6-2-3-7-13(12)18(16-14)11-10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of 3-bromo-1-(2-piperidin-1-ylethyl)indazole?
3-bromo-1-(2-piperidin-1-ylethyl)indazole has a molecular weight of 308.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-piperidin-1-ylethyl)indazole is sourced from PubChem (CID 23324109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).