2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl

C12H20NO2 — CID 59188306

IUPAC—
SMILESC#CCOC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C12H20NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h1,10H,7-9H2,2-5H3
InChIKeyPOEBHISKBXRUBH-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.00
Rot. Bonds2

About 2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl

2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl (PubChem CID 59188306) has the molecular formula C12H20NO2 and a molecular weight of 210.30 g/mol.

Molecular Properties

Compound Name2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl
PubChem CID59188306
Molecular FormulaC12H20NO2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name—
SMILESC#CCOC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C12H20NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h1,10H,7-9H2,2-5H3
InChIKeyPOEBHISKBXRUBH-UHFFFAOYSA-N
XLogP2.00
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl?
The IUPAC name of 2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl (CID 59188306) is not available.
What is the SMILES notation for 2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl?
The canonical SMILES for 2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl is C#CCOC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of 2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl?
The InChIKey is POEBHISKBXRUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h1,10H,7-9H2,2-5H3.
What are the key properties of 2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl?
2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl has a molecular weight of 210.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-Tetramethyl-4-(2-propynyloxy)piperidine 1-Oxyl is sourced from PubChem (CID 59188306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).