(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one

C₁₃H₂₆N₂O — CID 103928383

About (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one

(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 103928383) has the molecular formula C₁₃H₂₆N₂O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

• Compound Name: (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
• PubChem CID: 103928383
• Molecular Formula: C₁₃H₂₆N₂O
• Molecular Weight: 226.36 g/mol
• Exact Mass: 226.20
• IUPAC Name: (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
• SMILES: CC1CCCC(C)N1C(=O)[C@H](N)C(C)(C)C
• InChI: InChI=1S/C13H26N2O/c1-9-7-6-8-10(2)15(9)12(16)11(14)13(3,4)5/h9-11H,6-8,14H2,1-5H3/t9?,10?,11-/m0/s1
• InChIKey: YYQQGCWSVNJQOT-ILDUYXDCSA-N
• XLogP: 2.15
• TPSA: 46.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.36
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?

The IUPAC name of (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one (CID 103928383) is (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one.

What is the SMILES notation for (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?

The canonical SMILES for (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one is CC1CCCC(C)N1C(=O)[C@H](N)C(C)(C)C.

What is the InChIKey of (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?

The InChIKey is YYQQGCWSVNJQOT-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9-7-6-8-10(2)15(9)12(16)11(14)13(3,4)5/h9-11H,6-8,14H2,1-5H3/t9?,10?,11-/m0/s1.

What are the key properties of (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?

(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103928383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103928383 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.