7-bromo-3-methyl-1-piperidin-4-ylindazole

C13H16BrN3 — CID 84815234

IUPAC7-bromo-3-methyl-1-piperidin-4-ylindazole
SMILESCc1nn(C2CCNCC2)c2c(Br)cccc12
InChIInChI=1S/C13H16BrN3/c1-9-11-3-2-4-12(14)13(11)17(16-9)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3
InChIKeySVUKEVJXZMUKDZ-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.03
Rot. Bonds1

About 7-bromo-3-methyl-1-piperidin-4-ylindazole

7-bromo-3-methyl-1-piperidin-4-ylindazole (PubChem CID 84815234) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 7-bromo-3-methyl-1-piperidin-4-ylindazole.

Molecular Properties

Compound Name7-bromo-3-methyl-1-piperidin-4-ylindazole
PubChem CID84815234
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name7-bromo-3-methyl-1-piperidin-4-ylindazole
SMILESCc1nn(C2CCNCC2)c2c(Br)cccc12
InChIInChI=1S/C13H16BrN3/c1-9-11-3-2-4-12(14)13(11)17(16-9)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3
InChIKeySVUKEVJXZMUKDZ-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-pyrrolidin-3-ylindazol-7-ol
CID 84682925
3,4-dimethyl-1-piperidin-4-ylindazole
CID 84692853
4-(3,4,5-trimethylpyrazol-1-yl)piperidine
CID 61346158
3-bromo-2-piperidin-4-ylindazole-7-carboxamide
CID 56645262
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine
CID 84609955
3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole
CID 117493169
2-(7-bromo-3-methylindazol-1-yl)acetic acid
CID 84712293
6-bromo-1-cyclopropyl-3-methylindazole
CID 176566631
4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride
CID 154582392
N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate
CID 174677647

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-1-piperidin-4-ylindazole?
The IUPAC name of 7-bromo-3-methyl-1-piperidin-4-ylindazole (CID 84815234) is 7-bromo-3-methyl-1-piperidin-4-ylindazole.
What is the SMILES notation for 7-bromo-3-methyl-1-piperidin-4-ylindazole?
The canonical SMILES for 7-bromo-3-methyl-1-piperidin-4-ylindazole is Cc1nn(C2CCNCC2)c2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-methyl-1-piperidin-4-ylindazole?
The InChIKey is SVUKEVJXZMUKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-11-3-2-4-12(14)13(11)17(16-9)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3.
What are the key properties of 7-bromo-3-methyl-1-piperidin-4-ylindazole?
7-bromo-3-methyl-1-piperidin-4-ylindazole has a molecular weight of 294.20 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-1-piperidin-4-ylindazole is sourced from PubChem (CID 84815234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).