2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium

C13H28N2O2 — CID 2762632

IUPAC2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium
SMILESCC1(C)CC([N+](C)(C)CCO)CC(C)(C)N1[O-]
InChIInChI=1S/C13H28N2O2/c1-12(2)9-11(15(5,6)7-8-16)10-13(3,4)14(12)17/h11,16H,7-10H2,1-6H3
InChIKeyVXIAHXVBBZVSHM-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.57
Rot. Bonds3

About 2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium

2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium (PubChem CID 2762632) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium
PubChem CID2762632
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium
SMILESCC1(C)CC([N+](C)(C)CCO)CC(C)(C)N1[O-]
InChIInChI=1S/C13H28N2O2/c1-12(2)9-11(15(5,6)7-8-16)10-13(3,4)14(12)17/h11,16H,7-10H2,1-6H3
InChIKeyVXIAHXVBBZVSHM-UHFFFAOYSA-N
XLogP1.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium (CID 2762632) is 2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium is CC1(C)CC([N+](C)(C)CCO)CC(C)(C)N1[O-].
What is the InChIKey of 2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium?
The InChIKey is VXIAHXVBBZVSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2)9-11(15(5,6)7-8-16)10-13(3,4)14(12)17/h11,16H,7-10H2,1-6H3.
What are the key properties of 2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium?
2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium has a molecular weight of 244.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)azanium is sourced from PubChem (CID 2762632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).