tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate

C15H20F2N2O3 — CID 58548019

IUPACtert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ncc(F)cc2F)CC1
InChIInChI=1S/C15H20F2N2O3/c1-15(2,3)22-14(20)19-6-4-11(5-7-19)21-13-12(17)8-10(16)9-18-13/h8-9,11H,4-7H2,1-3H3
InChIKeyVSRYSVACJDNTHB-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.14
Rot. Bonds2

About tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate

tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate (PubChem CID 58548019) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate
PubChem CID58548019
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Nametert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ncc(F)cc2F)CC1
InChIInChI=1S/C15H20F2N2O3/c1-15(2,3)22-14(20)19-6-4-11(5-7-19)21-13-12(17)8-10(16)9-18-13/h8-9,11H,4-7H2,1-3H3
InChIKeyVSRYSVACJDNTHB-UHFFFAOYSA-N
XLogP3.14
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate (CID 58548019) is tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ncc(F)cc2F)CC1.
What is the InChIKey of tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate?
The InChIKey is VSRYSVACJDNTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-15(2,3)22-14(20)19-6-4-11(5-7-19)21-13-12(17)8-10(16)9-18-13/h8-9,11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate?
tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate has a molecular weight of 314.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3,5-difluoro-2-pyridinyl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 58548019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).