4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

C11H22ClNO2 — CID 169097448

IUPAC4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CC(OCCCl)CC(C)(C)[NH+]1[O-]
InChIInChI=1S/C11H22ClNO2/c1-10(2)7-9(15-6-5-12)8-11(3,4)13(10)14/h9,13H,5-8H2,1-4H3
InChIKeyWABTVRJINZARNN-UHFFFAOYSA-N
MW235.75 g/mol
LogP1.34
Rot. Bonds3

About 4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (PubChem CID 169097448) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
PubChem CID169097448
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CC(OCCCl)CC(C)(C)[NH+]1[O-]
InChIInChI=1S/C11H22ClNO2/c1-10(2)7-9(15-6-5-12)8-11(3,4)13(10)14/h9,13H,5-8H2,1-4H3
InChIKeyWABTVRJINZARNN-UHFFFAOYSA-N
XLogP1.34
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The IUPAC name of 4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (CID 169097448) is 4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.
What is the SMILES notation for 4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The canonical SMILES for 4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is CC1(C)CC(OCCCl)CC(C)(C)[NH+]1[O-].
What is the InChIKey of 4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The InChIKey is WABTVRJINZARNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-10(2)7-9(15-6-5-12)8-11(3,4)13(10)14/h9,13H,5-8H2,1-4H3.
What are the key properties of 4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium has a molecular weight of 235.75 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is sourced from PubChem (CID 169097448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).