ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium

C17H37N2O2+ — CID 18760976

IUPACditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium
SMILESCC1(C)CCCC(C)(C)N1O[N+](O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37N2O2/c1-14(2,3)19(20,15(4,5)6)21-18-16(7,8)12-11-13-17(18,9)10/h20H,11-13H2,1-10H3/q+1
InChIKeyBVPMEFQJOTYDGA-UHFFFAOYSA-N
MW301.50 g/mol
LogP4.68
Rot. Bonds2

About ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium

ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium (PubChem CID 18760976) has the molecular formula C17H37N2O2+ and a molecular weight of 301.50 g/mol. Its IUPAC name is ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium.

Molecular Properties

Compound Nameditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium
PubChem CID18760976
Molecular FormulaC17H37N2O2+
Molecular Weight301.50 g/mol
Exact Mass301.28
IUPAC Nameditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium
SMILESCC1(C)CCCC(C)(C)N1O[N+](O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37N2O2/c1-14(2,3)19(20,15(4,5)6)21-18-16(7,8)12-11-13-17(18,9)10/h20H,11-13H2,1-10H3/q+1
InChIKeyBVPMEFQJOTYDGA-UHFFFAOYSA-N
XLogP4.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium?
The IUPAC name of ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium (CID 18760976) is ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium.
What is the SMILES notation for ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium?
The canonical SMILES for ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium is CC1(C)CCCC(C)(C)N1O[N+](O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium?
The InChIKey is BVPMEFQJOTYDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N2O2/c1-14(2,3)19(20,15(4,5)6)21-18-16(7,8)12-11-13-17(18,9)10/h20H,11-13H2,1-10H3/q+1.
What are the key properties of ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium?
ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium has a molecular weight of 301.50 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-hydroxy-(2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium is sourced from PubChem (CID 18760976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).