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

C16H21FN4O2 — CID 86686953

IUPACtert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C16H21FN4O2/c1-16(2,3)23-15(22)20-8-6-11(7-9-20)14-19-18-13-5-4-12(17)10-21(13)14/h4-5,10-11H,6-9H2,1-3H3
InChIKeyNQYDPOVCLRWDRK-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.98
Rot. Bonds1

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

tert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 86686953) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is tert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID86686953
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Nametert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C16H21FN4O2/c1-16(2,3)23-15(22)20-8-6-11(7-9-20)14-19-18-13-5-4-12(17)10-21(13)14/h4-5,10-11H,6-9H2,1-3H3
InChIKeyNQYDPOVCLRWDRK-UHFFFAOYSA-N
XLogP2.98
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.98
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)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate (CID 86686953) is tert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nnc3ccc(F)cn23)CC1.
What is the InChIKey of tert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is NQYDPOVCLRWDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-16(2,3)23-15(22)20-8-6-11(7-9-20)14-19-18-13-5-4-12(17)10-21(13)14/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.98, 1 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)piperidine-1-carboxylate is sourced from PubChem (CID 86686953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).