5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole

C13H16FN3 — CID 84696784

IUPAC5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole
SMILESFc1ccc2n[nH]c(CC3CCNCC3)c2c1
InChIInChI=1S/C13H16FN3/c14-10-1-2-12-11(8-10)13(17-16-12)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2,(H,16,17)
InChIKeyBGSKNPCBZZBHAE-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.24
Rot. Bonds2

About 5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole

5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole (PubChem CID 84696784) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole.

Molecular Properties

Compound Name5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole
PubChem CID84696784
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole
SMILESFc1ccc2n[nH]c(CC3CCNCC3)c2c1
InChIInChI=1S/C13H16FN3/c14-10-1-2-12-11(8-10)13(17-16-12)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2,(H,16,17)
InChIKeyBGSKNPCBZZBHAE-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine
CID 18669392
4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 71261709
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
6-fluoro-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 95929826
(2R)-1-(5-fluoro-2H-indazol-3-yl)propan-2-amine
CID 92670275
4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
CID 117463711
5-(piperidin-4-ylmethyl)-2H-benzotriazole
CID 84784846
3-(bromomethyl)-6-fluoro-2H-indazole
CID 10823278
4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine
CID 117117923
3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole
CID 84784140
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
5-fluoro-3-piperidin-4-yloxy-1H-indazole
CID 84698532

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole?
The IUPAC name of 5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole (CID 84696784) is 5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole.
What is the SMILES notation for 5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole?
The canonical SMILES for 5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole is Fc1ccc2n[nH]c(CC3CCNCC3)c2c1.
What is the InChIKey of 5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole?
The InChIKey is BGSKNPCBZZBHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c14-10-1-2-12-11(8-10)13(17-16-12)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2,(H,16,17).
What are the key properties of 5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole?
5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole has a molecular weight of 233.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(piperidin-4-ylmethyl)-2H-indazole is sourced from PubChem (CID 84696784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).