tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate

C17H27N3O3 — CID 91511468

IUPACtert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCCC1CCOc1cccc(N)n1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)13-11-19-9-7-12(13)8-10-22-15-6-4-5-14(18)20-15/h4-6,12-13,19H,7-11H2,1-3H3,(H2,18,20)
InChIKeyWLJKDBWNAOEHAF-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.00
Rot. Bonds5

About tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate

tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate (PubChem CID 91511468) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate
PubChem CID91511468
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCCC1CCOc1cccc(N)n1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)13-11-19-9-7-12(13)8-10-22-15-6-4-5-14(18)20-15/h4-6,12-13,19H,7-11H2,1-3H3,(H2,18,20)
InChIKeyWLJKDBWNAOEHAF-UHFFFAOYSA-N
XLogP2.00
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate (CID 91511468) is tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate is CC(C)(C)OC(=O)C1CNCCC1CCOc1cccc(N)n1.
What is the InChIKey of tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate?
The InChIKey is WLJKDBWNAOEHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)13-11-19-9-7-12(13)8-10-22-15-6-4-5-14(18)20-15/h4-6,12-13,19H,7-11H2,1-3H3,(H2,18,20).
What are the key properties of tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate?
tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(6-amino-2-pyridinyl)oxy]ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 91511468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).