6-fluoro-1-methyl-3-piperidin-1-ylindazole

C13H16FN3 — CID 19020636

IUPAC6-fluoro-1-methyl-3-piperidin-1-ylindazole
SMILESCn1nc(N2CCCCC2)c2ccc(F)cc21
InChIInChI=1S/C13H16FN3/c1-16-12-9-10(14)5-6-11(12)13(15-16)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3
InChIKeyGDKIRFMMKNTJQC-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.70
Rot. Bonds1

About 6-fluoro-1-methyl-3-piperidin-1-ylindazole

6-fluoro-1-methyl-3-piperidin-1-ylindazole (PubChem CID 19020636) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-piperidin-1-ylindazole.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-piperidin-1-ylindazole
PubChem CID19020636
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name6-fluoro-1-methyl-3-piperidin-1-ylindazole
SMILESCn1nc(N2CCCCC2)c2ccc(F)cc21
InChIInChI=1S/C13H16FN3/c1-16-12-9-10(14)5-6-11(12)13(15-16)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3
InChIKeyGDKIRFMMKNTJQC-UHFFFAOYSA-N
XLogP2.70
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-piperidin-1-ylindazole?
The IUPAC name of 6-fluoro-1-methyl-3-piperidin-1-ylindazole (CID 19020636) is 6-fluoro-1-methyl-3-piperidin-1-ylindazole.
What is the SMILES notation for 6-fluoro-1-methyl-3-piperidin-1-ylindazole?
The canonical SMILES for 6-fluoro-1-methyl-3-piperidin-1-ylindazole is Cn1nc(N2CCCCC2)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-3-piperidin-1-ylindazole?
The InChIKey is GDKIRFMMKNTJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-16-12-9-10(14)5-6-11(12)13(15-16)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 6-fluoro-1-methyl-3-piperidin-1-ylindazole?
6-fluoro-1-methyl-3-piperidin-1-ylindazole has a molecular weight of 233.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-piperidin-1-ylindazole is sourced from PubChem (CID 19020636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).