tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate

C17H22FN3O2 — CID 167016279

IUPACtert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2[nH]nc3cccc(F)c23)CC1
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)23-16(22)21-9-7-11(8-10-21)15-14-12(18)5-4-6-13(14)19-20-15/h4-6,11H,7-10H2,1-3H3,(H,19,20)
InChIKeyMYTUUVKAYKRTLU-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.82
Rot. Bonds1

About tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate (PubChem CID 167016279) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate
PubChem CID167016279
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Nametert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2[nH]nc3cccc(F)c23)CC1
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)23-16(22)21-9-7-11(8-10-21)15-14-12(18)5-4-6-13(14)19-20-15/h4-6,11H,7-10H2,1-3H3,(H,19,20)
InChIKeyMYTUUVKAYKRTLU-UHFFFAOYSA-N
XLogP3.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-indazole
CID 9996081
1-(3-(4-Fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one
CID 57076369
3-(1-propylpiperidin-4-yl)-2H-indazole
CID 71463194
US11339151, Example 19
CID 156540514
Tert-butyl 3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate
CID 10040397
6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole
CID 168941519
tert-butyl 4-[5-[bis(4-chlorophenyl)methyl]-2H-indazol-3-yl]piperidine-1-carboxylate
CID 126616779
(E)-4-(dimethylamino)-N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]but-2-enamide
CID 164624771
5-Amino-3-(1-Methylpiperidin-4-yl)-1H-Indazole
CID 10220231
3-[[4-(2-cyclohexylethyl)piperidin-1-yl]methyl]-2H-indazole
CID 22914826
tert-butyl 3-(3-fluorophenyl)-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carboxylate
CID 101905804
1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-dimethylpropan-1-one
CID 8032498

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate (CID 167016279) is tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2[nH]nc3cccc(F)c23)CC1.
What is the InChIKey of tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate?
The InChIKey is MYTUUVKAYKRTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-17(2,3)23-16(22)21-9-7-11(8-10-21)15-14-12(18)5-4-6-13(14)19-20-15/h4-6,11H,7-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate has a molecular weight of 319.38 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 167016279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).