7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole

C13H16FN3 — CID 84696786

IUPAC7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole
SMILESFc1cccc2c(CC3CCCCN3)[nH]nc12
InChIInChI=1S/C13H16FN3/c14-11-6-3-5-10-12(16-17-13(10)11)8-9-4-1-2-7-15-9/h3,5-6,9,15H,1-2,4,7-8H2,(H,16,17)
InChIKeyXCVLKFNAEZTJGR-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.39
Rot. Bonds2

About 7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole

7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole (PubChem CID 84696786) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole.

Molecular Properties

Compound Name7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole
PubChem CID84696786
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole
SMILESFc1cccc2c(CC3CCCCN3)[nH]nc12
InChIInChI=1S/C13H16FN3/c14-11-6-3-5-10-12(16-17-13(10)11)8-9-4-1-2-7-15-9/h3,5-6,9,15H,1-2,4,7-8H2,(H,16,17)
InChIKeyXCVLKFNAEZTJGR-UHFFFAOYSA-N
XLogP2.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole
CID 117474538
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632388
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole
CID 84638279
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
8-fluoro-3-methyl-2-(pyrrolidin-2-ylmethyl)imidazo[1,2-a]pyridine
CID 115039507
3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
CID 84695678
2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
CID 117324200
2-(1H-pyrazol-5-ylmethyl)piperidine
CID 83845818

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole?
The IUPAC name of 7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole (CID 84696786) is 7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole.
What is the SMILES notation for 7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole?
The canonical SMILES for 7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole is Fc1cccc2c(CC3CCCCN3)[nH]nc12.
What is the InChIKey of 7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole?
The InChIKey is XCVLKFNAEZTJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c14-11-6-3-5-10-12(16-17-13(10)11)8-9-4-1-2-7-15-9/h3,5-6,9,15H,1-2,4,7-8H2,(H,16,17).
What are the key properties of 7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole?
7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole has a molecular weight of 233.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(piperidin-2-ylmethyl)-2H-indazole is sourced from PubChem (CID 84696786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).