[hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium

C11H22NO3+ — CID 140706105

IUPAC[hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium
SMILES[H]/[O+]=C(\O)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C11H21NO3/c1-10(2)6-8(9(13)14)7-11(3,4)12(10)15-5/h8H,6-7H2,1-5H3,(H,13,14)/p+1
InChIKeyMARVCMBTUVNHOC-UHFFFAOYSA-O
MW216.30 g/mol
LogP1.88
Rot. Bonds2

About [hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium

[hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium (PubChem CID 140706105) has the molecular formula C11H22NO3+ and a molecular weight of 216.30 g/mol. Its IUPAC name is [hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium.

Molecular Properties

Compound Name[hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium
PubChem CID140706105
Molecular FormulaC11H22NO3+
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name[hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium
SMILES[H]/[O+]=C(\O)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C11H21NO3/c1-10(2)6-8(9(13)14)7-11(3,4)12(10)15-5/h8H,6-7H2,1-5H3,(H,13,14)/p+1
InChIKeyMARVCMBTUVNHOC-UHFFFAOYSA-O
XLogP1.88
TPSA54.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium?
The IUPAC name of [hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium (CID 140706105) is [hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium.
What is the SMILES notation for [hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium?
The canonical SMILES for [hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium is [H]/[O+]=C(\O)C1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of [hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium?
The InChIKey is MARVCMBTUVNHOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21NO3/c1-10(2)6-8(9(13)14)7-11(3,4)12(10)15-5/h8H,6-7H2,1-5H3,(H,13,14)/p+1.
What are the key properties of [hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium?
[hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium has a molecular weight of 216.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)methylidene]oxidanium is sourced from PubChem (CID 140706105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).