4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

C15H31NO2 — CID 19048013

IUPAC4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCCCCCCOC1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C15H31NO2/c1-6-7-8-9-10-18-13-11-14(2,3)16(17)15(4,5)12-13/h13,16H,6-12H2,1-5H3
InChIKeyDXQMOBPYHYWTSO-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.69
Rot. Bonds6

About 4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (PubChem CID 19048013) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
PubChem CID19048013
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCCCCCCOC1CC(C)(C)[NH+]([O-])C(C)(C)C1
InChIInChI=1S/C15H31NO2/c1-6-7-8-9-10-18-13-11-14(2,3)16(17)15(4,5)12-13/h13,16H,6-12H2,1-5H3
InChIKeyDXQMOBPYHYWTSO-UHFFFAOYSA-N
XLogP2.69
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The IUPAC name of 4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (CID 19048013) is 4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.
What is the SMILES notation for 4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The canonical SMILES for 4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is CCCCCCOC1CC(C)(C)[NH+]([O-])C(C)(C)C1.
What is the InChIKey of 4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The InChIKey is DXQMOBPYHYWTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-7-8-9-10-18-13-11-14(2,3)16(17)15(4,5)12-13/h13,16H,6-12H2,1-5H3.
What are the key properties of 4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium has a molecular weight of 257.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is sourced from PubChem (CID 19048013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).