tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

C16H23FN2O4 — CID 164602248

IUPACtert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nc(CO)ccc2F)CC1
InChIInChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)19-8-6-12(7-9-19)22-14-13(17)5-4-11(10-20)18-14/h4-5,12,20H,6-10H2,1-3H3
InChIKeyRBFXZTURUQATEJ-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 164602248) has the molecular formula C16H23FN2O4 and a molecular weight of 326.37 g/mol. Its IUPAC name is tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID164602248
Molecular FormulaC16H23FN2O4
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Nametert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nc(CO)ccc2F)CC1
InChIInChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)19-8-6-12(7-9-19)22-14-13(17)5-4-11(10-20)18-14/h4-5,12,20H,6-10H2,1-3H3
InChIKeyRBFXZTURUQATEJ-UHFFFAOYSA-N
XLogP2.49
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (CID 164602248) is tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2nc(CO)ccc2F)CC1.
What is the InChIKey of tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is RBFXZTURUQATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)19-8-6-12(7-9-19)22-14-13(17)5-4-11(10-20)18-14/h4-5,12,20H,6-10H2,1-3H3.
What are the key properties of tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 326.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-fluoro-6-(hydroxymethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 164602248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).