tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate

C17H23FN2O2 — CID 58793864

IUPACtert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate
SMILESC=C(c1ccc(F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H23FN2O2/c1-12(15-6-5-14(18)11-19-15)13-7-9-20(10-8-13)16(21)22-17(2,3)4/h5-6,11,13H,1,7-10H2,2-4H3
InChIKeyOIAHOJMSIHOKLE-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.88
Rot. Bonds2

About tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate

tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate (PubChem CID 58793864) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate
PubChem CID58793864
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Nametert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate
SMILESC=C(c1ccc(F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H23FN2O2/c1-12(15-6-5-14(18)11-19-15)13-7-9-20(10-8-13)16(21)22-17(2,3)4/h5-6,11,13H,1,7-10H2,2-4H3
InChIKeyOIAHOJMSIHOKLE-UHFFFAOYSA-N
XLogP3.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate (CID 58793864) is tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate is C=C(c1ccc(F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate?
The InChIKey is OIAHOJMSIHOKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12(15-6-5-14(18)11-19-15)13-7-9-20(10-8-13)16(21)22-17(2,3)4/h5-6,11,13H,1,7-10H2,2-4H3.
What are the key properties of tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate?
tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate has a molecular weight of 306.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(5-fluoro-2-pyridinyl)ethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 58793864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).