3-bromo-4-piperidin-4-yl-2H-indazole

C12H14BrN3 — CID 117449484

IUPAC3-bromo-4-piperidin-4-yl-2H-indazole
SMILESBrc1[nH]nc2cccc(C3CCNCC3)c12
InChIInChI=1S/C12H14BrN3/c13-12-11-9(8-4-6-14-7-5-8)2-1-3-10(11)15-16-12/h1-3,8,14H,4-7H2,(H,15,16)
InChIKeyWSGCMLHPHWWIHP-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.79
Rot. Bonds1

About 3-bromo-4-piperidin-4-yl-2H-indazole

3-bromo-4-piperidin-4-yl-2H-indazole (PubChem CID 117449484) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-bromo-4-piperidin-4-yl-2H-indazole.

Molecular Properties

Compound Name3-bromo-4-piperidin-4-yl-2H-indazole
PubChem CID117449484
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-bromo-4-piperidin-4-yl-2H-indazole
SMILESBrc1[nH]nc2cccc(C3CCNCC3)c12
InChIInChI=1S/C12H14BrN3/c13-12-11-9(8-4-6-14-7-5-8)2-1-3-10(11)15-16-12/h1-3,8,14H,4-7H2,(H,15,16)
InChIKeyWSGCMLHPHWWIHP-UHFFFAOYSA-N
XLogP2.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-piperidin-4-yl-2H-indazole 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

2-bromo-6-piperidin-4-ylphenol
CID 82623407
5-piperidin-4-yl-1H-quinolin-4-one
CID 67274541
6-bromo-3-piperidin-4-yl-2H-indazole
CID 14032607
4-(3-methyl-2-methylsulfanylphenyl)piperidine
CID 154450435
4-(3-fluoro-2-methylsulfanylphenyl)piperidine
CID 117324169
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
2-amino-3-piperidin-4-ylphenol
CID 117103764
1-piperidin-4-yl-9H-carbazole
CID 151051722
2-(3-bromo-2H-indazol-4-yl)acetonitrile
CID 84797968
4-piperidin-4-yltriazolo[1,5-a]pyridine
CID 96619296
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
3-cyclopropyl-4-methyl-2H-indazole
CID 91216938

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-piperidin-4-yl-2H-indazole?
The IUPAC name of 3-bromo-4-piperidin-4-yl-2H-indazole (CID 117449484) is 3-bromo-4-piperidin-4-yl-2H-indazole.
What is the SMILES notation for 3-bromo-4-piperidin-4-yl-2H-indazole?
The canonical SMILES for 3-bromo-4-piperidin-4-yl-2H-indazole is Brc1[nH]nc2cccc(C3CCNCC3)c12.
What is the InChIKey of 3-bromo-4-piperidin-4-yl-2H-indazole?
The InChIKey is WSGCMLHPHWWIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-12-11-9(8-4-6-14-7-5-8)2-1-3-10(11)15-16-12/h1-3,8,14H,4-7H2,(H,15,16).
What are the key properties of 3-bromo-4-piperidin-4-yl-2H-indazole?
3-bromo-4-piperidin-4-yl-2H-indazole has a molecular weight of 280.17 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-piperidin-4-yl-2H-indazole is sourced from PubChem (CID 117449484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).