tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate

C16H26N4O3 — CID 22293166

IUPACtert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCOc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c(N)n1
InChIInChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)20-9-7-11(8-10-20)18-12-5-6-13(22-4)19-14(12)17/h5-6,11,18H,7-10H2,1-4H3,(H2,17,19)
InChIKeyHGWYQGIJNSQWCG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 22293166) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID22293166
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nametert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate
SMILESCOc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c(N)n1
InChIInChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)20-9-7-11(8-10-20)18-12-5-6-13(22-4)19-14(12)17/h5-6,11,18H,7-10H2,1-4H3,(H2,17,19)
InChIKeyHGWYQGIJNSQWCG-UHFFFAOYSA-N
XLogP2.48
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.48
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-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate (CID 22293166) is tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate is COc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c(N)n1.
What is the InChIKey of tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is HGWYQGIJNSQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)20-9-7-11(8-10-20)18-12-5-6-13(22-4)19-14(12)17/h5-6,11,18H,7-10H2,1-4H3,(H2,17,19).
What are the key properties of tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-amino-6-methoxy-3-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 22293166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).