tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate

C15H23N3O2 — CID 71259002

IUPACtert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1nc(N)ccc1C1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)13-11(4-5-12(16)18-13)10-6-8-17-9-7-10/h4-5,10,17H,6-9H2,1-3H3,(H2,16,18)
InChIKeyCOOPNZBAAMYZMB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.09
Rot. Bonds2

About tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate

tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate (PubChem CID 71259002) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate
PubChem CID71259002
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1nc(N)ccc1C1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)13-11(4-5-12(16)18-13)10-6-8-17-9-7-10/h4-5,10,17H,6-9H2,1-3H3,(H2,16,18)
InChIKeyCOOPNZBAAMYZMB-UHFFFAOYSA-N
XLogP2.09
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate?
The IUPAC name of tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate (CID 71259002) is tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate?
The canonical SMILES for tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate is CC(C)(C)OC(=O)c1nc(N)ccc1C1CCNCC1.
What is the InChIKey of tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate?
The InChIKey is COOPNZBAAMYZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)13-11(4-5-12(16)18-13)10-6-8-17-9-7-10/h4-5,10,17H,6-9H2,1-3H3,(H2,16,18).
What are the key properties of tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate?
tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 71259002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).