[2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium

C12H25N2O2+ — CID 142022752

IUPAC[2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium
SMILESCCC(=O)NC1CC(C)(C)N([OH2+])C(C)(C)C1
InChIInChI=1S/C12H24N2O2/c1-6-10(15)13-9-7-11(2,3)14(16)12(4,5)8-9/h9,16H,6-8H2,1-5H3,(H,13,15)/p+1
InChIKeyVULMOPWNFFBLSB-UHFFFAOYSA-O
MW229.34 g/mol
LogP1.17
Rot. Bonds2

About [2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium

[2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium (PubChem CID 142022752) has the molecular formula C12H25N2O2+ and a molecular weight of 229.34 g/mol. Its IUPAC name is [2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium.

Molecular Properties

Compound Name[2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium
PubChem CID142022752
Molecular FormulaC12H25N2O2+
Molecular Weight229.34 g/mol
Exact Mass229.19
IUPAC Name[2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium
SMILESCCC(=O)NC1CC(C)(C)N([OH2+])C(C)(C)C1
InChIInChI=1S/C12H24N2O2/c1-6-10(15)13-9-7-11(2,3)14(16)12(4,5)8-9/h9,16H,6-8H2,1-5H3,(H,13,15)/p+1
InChIKeyVULMOPWNFFBLSB-UHFFFAOYSA-O
XLogP1.17
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.17
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 [2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium?
The IUPAC name of [2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium (CID 142022752) is [2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium.
What is the SMILES notation for [2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium?
The canonical SMILES for [2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium is CCC(=O)NC1CC(C)(C)N([OH2+])C(C)(C)C1.
What is the InChIKey of [2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium?
The InChIKey is VULMOPWNFFBLSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H24N2O2/c1-6-10(15)13-9-7-11(2,3)14(16)12(4,5)8-9/h9,16H,6-8H2,1-5H3,(H,13,15)/p+1.
What are the key properties of [2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium?
[2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium has a molecular weight of 229.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium is sourced from PubChem (CID 142022752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).