(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate

C11H24BF4N3O2 — CID 141471658

IUPAC(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate
SMILESCC(=O)NC1CC(C)(C)N(O[NH3+])C(C)(C)C1.F[B-](F)(F)F
InChIInChI=1S/C11H23N3O2.BF4/c1-8(15)13-9-6-10(2,3)14(16-12)11(4,5)7-9;2-1(3,4)5/h9H,6-7H2,1-5,12H3;/q;-1/p+1
InChIKeyDDEICDYEJZQWSU-UHFFFAOYSA-O
MW317.14 g/mol
LogP1.53
Rot. Bonds2

About (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate

(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate (PubChem CID 141471658) has the molecular formula C11H24BF4N3O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate.

Molecular Properties

Compound Name(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate
PubChem CID141471658
Molecular FormulaC11H24BF4N3O2
Molecular Weight317.14 g/mol
Exact Mass317.19
IUPAC Name(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate
SMILESCC(=O)NC1CC(C)(C)N(O[NH3+])C(C)(C)C1.F[B-](F)(F)F
InChIInChI=1S/C11H23N3O2.BF4/c1-8(15)13-9-6-10(2,3)14(16-12)11(4,5)7-9;2-1(3,4)5/h9H,6-7H2,1-5,12H3;/q;-1/p+1
InChIKeyDDEICDYEJZQWSU-UHFFFAOYSA-O
XLogP1.53
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate?
The IUPAC name of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate (CID 141471658) is (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate.
What is the SMILES notation for (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate?
The canonical SMILES for (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate is CC(=O)NC1CC(C)(C)N(O[NH3+])C(C)(C)C1.F[B-](F)(F)F.
What is the InChIKey of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate?
The InChIKey is DDEICDYEJZQWSU-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23N3O2.BF4/c1-8(15)13-9-6-10(2,3)14(16-12)11(4,5)7-9;2-1(3,4)5/h9H,6-7H2,1-5,12H3;/q;-1/p+1.
What are the key properties of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate?
(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate has a molecular weight of 317.14 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate is sourced from PubChem (CID 141471658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).