5-fluoro-1-(piperidin-2-ylmethyl)indazole

C13H16FN3 — CID 84796127

IUPAC5-fluoro-1-(piperidin-2-ylmethyl)indazole
SMILESFc1ccc2c(cnn2CC2CCCCN2)c1
InChIInChI=1S/C13H16FN3/c14-11-4-5-13-10(7-11)8-16-17(13)9-12-3-1-2-6-15-12/h4-5,7-8,12,15H,1-3,6,9H2
InChIKeyDPRCMBGYWUTSSG-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.32
Rot. Bonds2

About 5-fluoro-1-(piperidin-2-ylmethyl)indazole

5-fluoro-1-(piperidin-2-ylmethyl)indazole (PubChem CID 84796127) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-fluoro-1-(piperidin-2-ylmethyl)indazole.

Molecular Properties

Compound Name5-fluoro-1-(piperidin-2-ylmethyl)indazole
PubChem CID84796127
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name5-fluoro-1-(piperidin-2-ylmethyl)indazole
SMILESFc1ccc2c(cnn2CC2CCCCN2)c1
InChIInChI=1S/C13H16FN3/c14-11-4-5-13-10(7-11)8-16-17(13)9-12-3-1-2-6-15-12/h4-5,7-8,12,15H,1-3,6,9H2
InChIKeyDPRCMBGYWUTSSG-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
CID 86203454
4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one
CID 71039147
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]azepane
CID 64569761
1-(3-pyrrolidin-2-ylpropyl)indazole
CID 62480133
7-bromo-1-(pyrrolidin-2-ylmethyl)indazole
CID 84811810
5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole
CID 118382679
5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
CID 114395928
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
CID 117232255
2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
CID 115053619
3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one
CID 102548974
1-(azetidin-3-ylmethyl)-6-fluoroindazole
CID 141365019
4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid
CID 117232341

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(piperidin-2-ylmethyl)indazole?
The IUPAC name of 5-fluoro-1-(piperidin-2-ylmethyl)indazole (CID 84796127) is 5-fluoro-1-(piperidin-2-ylmethyl)indazole.
What is the SMILES notation for 5-fluoro-1-(piperidin-2-ylmethyl)indazole?
The canonical SMILES for 5-fluoro-1-(piperidin-2-ylmethyl)indazole is Fc1ccc2c(cnn2CC2CCCCN2)c1.
What is the InChIKey of 5-fluoro-1-(piperidin-2-ylmethyl)indazole?
The InChIKey is DPRCMBGYWUTSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c14-11-4-5-13-10(7-11)8-16-17(13)9-12-3-1-2-6-15-12/h4-5,7-8,12,15H,1-3,6,9H2.
What are the key properties of 5-fluoro-1-(piperidin-2-ylmethyl)indazole?
5-fluoro-1-(piperidin-2-ylmethyl)indazole has a molecular weight of 233.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(piperidin-2-ylmethyl)indazole is sourced from PubChem (CID 84796127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).