tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate

C16H28N4O2 — CID 23216163

IUPACtert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCNC1=C(N)C(C2CCNCC2)=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)20-10-7-12(13(17)14(20)18-4)11-5-8-19-9-6-11/h7,11,18-19H,5-6,8-10,17H2,1-4H3
InChIKeyZRAXPGBOGJBGBW-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate

tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate (PubChem CID 23216163) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate
PubChem CID23216163
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCNC1=C(N)C(C2CCNCC2)=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)20-10-7-12(13(17)14(20)18-4)11-5-8-19-9-6-11/h7,11,18-19H,5-6,8-10,17H2,1-4H3
InChIKeyZRAXPGBOGJBGBW-UHFFFAOYSA-N
XLogP1.51
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate (CID 23216163) is tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate is CNC1=C(N)C(C2CCNCC2)=CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate?
The InChIKey is ZRAXPGBOGJBGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)20-10-7-12(13(17)14(20)18-4)11-5-8-19-9-6-11/h7,11,18-19H,5-6,8-10,17H2,1-4H3.
What are the key properties of tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate?
tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate has a molecular weight of 308.43 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 23216163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).