[4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium

C10H20IN2O2+ — CID 144997352

IUPAC[4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
SMILESCC1(C)CC(NC(=O)I)CC(C)(C)N1[OH2+]
InChIInChI=1S/C10H19IN2O2/c1-9(2)5-7(12-8(11)14)6-10(3,4)13(9)15/h7,15H,5-6H2,1-4H3,(H,12,14)/p+1
InChIKeyWUGGRCOVPNNXEV-UHFFFAOYSA-O
MW327.19 g/mol
LogP1.79
Rot. Bonds1

About [4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium

[4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (PubChem CID 144997352) has the molecular formula C10H20IN2O2+ and a molecular weight of 327.19 g/mol. Its IUPAC name is [4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.

Molecular Properties

Compound Name[4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
PubChem CID144997352
Molecular FormulaC10H20IN2O2+
Molecular Weight327.19 g/mol
Exact Mass327.06
IUPAC Name[4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
SMILESCC1(C)CC(NC(=O)I)CC(C)(C)N1[OH2+]
InChIInChI=1S/C10H19IN2O2/c1-9(2)5-7(12-8(11)14)6-10(3,4)13(9)15/h7,15H,5-6H2,1-4H3,(H,12,14)/p+1
InChIKeyWUGGRCOVPNNXEV-UHFFFAOYSA-O
XLogP1.79
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium
CID 142022752
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropanamide
CID 58178690
[4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 164982584
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide
CID 12991967
(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate
CID 141471658
N-(3,3,6,6-tetramethylcycloheptyl)acetamide
CID 142825671
CID 140694935
CID 140694935
tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493
3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 91987853
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methylpropanamide
CID 90886793
N-[2,2,6,6-tetramethyl-1-(trioxidanylsulfanylmethyl)piperidin-4-yl]acetamide
CID 20670971
2-tert-butyl-2,4,4-trimethyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pentanamide
CID 135191358

Frequently Asked Questions

What is the IUPAC name of [4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The IUPAC name of [4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (CID 144997352) is [4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.
What is the SMILES notation for [4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The canonical SMILES for [4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is CC1(C)CC(NC(=O)I)CC(C)(C)N1[OH2+].
What is the InChIKey of [4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The InChIKey is WUGGRCOVPNNXEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19IN2O2/c1-9(2)5-7(12-8(11)14)6-10(3,4)13(9)15/h7,15H,5-6H2,1-4H3,(H,12,14)/p+1.
What are the key properties of [4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
[4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium has a molecular weight of 327.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is sourced from PubChem (CID 144997352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).