5-bromo-2-(piperidin-4-ylmethyl)indazole

C13H16BrN3 — CID 84815226

IUPAC5-bromo-2-(piperidin-4-ylmethyl)indazole
SMILESBrc1ccc2nn(CC3CCNCC3)cc2c1
InChIInChI=1S/C13H16BrN3/c14-12-1-2-13-11(7-12)9-17(16-13)8-10-3-5-15-6-4-10/h1-2,7,9-10,15H,3-6,8H2
InChIKeyPEVCTBROOREWIP-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.80
Rot. Bonds2

About 5-bromo-2-(piperidin-4-ylmethyl)indazole

5-bromo-2-(piperidin-4-ylmethyl)indazole (PubChem CID 84815226) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-bromo-2-(piperidin-4-ylmethyl)indazole.

Molecular Properties

Compound Name5-bromo-2-(piperidin-4-ylmethyl)indazole
PubChem CID84815226
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name5-bromo-2-(piperidin-4-ylmethyl)indazole
SMILESBrc1ccc2nn(CC3CCNCC3)cc2c1
InChIInChI=1S/C13H16BrN3/c14-12-1-2-13-11(7-12)9-17(16-13)8-10-3-5-15-6-4-10/h1-2,7,9-10,15H,3-6,8H2
InChIKeyPEVCTBROOREWIP-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-pyrrolidin-3-ylindazole
CID 169087490
4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine
CID 84609955
3-(5-bromoindazol-2-yl)propanoic acid
CID 84729968
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole
CID 169087484
2-(cyclopropylmethyl)-6-methylindazole;ethane
CID 145062293
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520
7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 117031103
4-methoxy-1-[4-methyl-2-(piperidin-4-ylmethyl)indazol-5-yl]butan-1-one;hydrochloride
CID 159556667
8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline
CID 141335519
4-[[3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazol-1-yl]methyl]piperidine
CID 174733230
5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one
CID 84645182

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(piperidin-4-ylmethyl)indazole?
The IUPAC name of 5-bromo-2-(piperidin-4-ylmethyl)indazole (CID 84815226) is 5-bromo-2-(piperidin-4-ylmethyl)indazole.
What is the SMILES notation for 5-bromo-2-(piperidin-4-ylmethyl)indazole?
The canonical SMILES for 5-bromo-2-(piperidin-4-ylmethyl)indazole is Brc1ccc2nn(CC3CCNCC3)cc2c1.
What is the InChIKey of 5-bromo-2-(piperidin-4-ylmethyl)indazole?
The InChIKey is PEVCTBROOREWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-12-1-2-13-11(7-12)9-17(16-13)8-10-3-5-15-6-4-10/h1-2,7,9-10,15H,3-6,8H2.
What are the key properties of 5-bromo-2-(piperidin-4-ylmethyl)indazole?
5-bromo-2-(piperidin-4-ylmethyl)indazole has a molecular weight of 294.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(piperidin-4-ylmethyl)indazole is sourced from PubChem (CID 84815226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).