tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate

C17H23FN4O2 — CID 86686982

IUPACtert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C17H23FN4O2/c1-17(2,3)24-16(23)21-8-6-12(7-9-21)10-15-20-19-14-5-4-13(18)11-22(14)15/h4-5,11-12H,6-10H2,1-3H3
InChIKeyOMHLRSWPKNNMPU-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate (PubChem CID 86686982) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate
PubChem CID86686982
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Nametert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C17H23FN4O2/c1-17(2,3)24-16(23)21-8-6-12(7-9-21)10-15-20-19-14-5-4-13(18)11-22(14)15/h4-5,11-12H,6-10H2,1-3H3
InChIKeyOMHLRSWPKNNMPU-UHFFFAOYSA-N
XLogP3.06
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate (CID 86686982) is tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2nnc3ccc(F)cn23)CC1.
What is the InChIKey of tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate?
The InChIKey is OMHLRSWPKNNMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-17(2,3)24-16(23)21-8-6-12(7-9-21)10-15-20-19-14-5-4-13(18)11-22(14)15/h4-5,11-12H,6-10H2,1-3H3.
What are the key properties of tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 86686982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).