2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine

C12H22NO3- — CID 14274507

IUPAC2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine
SMILESCC1(C)CC(OCC2CO2)CC(C)(C)N1[O-]
InChIInChI=1S/C12H22NO3/c1-11(2)5-9(15-7-10-8-16-10)6-12(3,4)13(11)14/h9-10H,5-8H2,1-4H3/q-1
InChIKeyJGUSVQZPMJWRMZ-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.92
Rot. Bonds3

About 2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine

2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine (PubChem CID 14274507) has the molecular formula C12H22NO3- and a molecular weight of 228.31 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine
PubChem CID14274507
Molecular FormulaC12H22NO3-
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine
SMILESCC1(C)CC(OCC2CO2)CC(C)(C)N1[O-]
InChIInChI=1S/C12H22NO3/c1-11(2)5-9(15-7-10-8-16-10)6-12(3,4)13(11)14/h9-10H,5-8H2,1-4H3/q-1
InChIKeyJGUSVQZPMJWRMZ-UHFFFAOYSA-N
XLogP1.92
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol
CID 88687607
CID 102388178
CID 102388178
2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidine
CID 141150714
(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
CID 124554723
2-[(1-methylcyclobutyl)oxymethyl]oxirane
CID 175392123
(3R)-1-methyl-3-[[(2R)-oxiran-2-yl]methoxy]piperidine
CID 124845730
(3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine
CID 97179782
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
CID 139990267
2-(1-bromoethoxymethyl)oxirane
CID 20568723
2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane
CID 58519968
2-methyl-3-(oxiran-2-ylmethoxy)oxetane
CID 175220948

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine (CID 14274507) is 2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine is CC1(C)CC(OCC2CO2)CC(C)(C)N1[O-].
What is the InChIKey of 2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine?
The InChIKey is JGUSVQZPMJWRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO3/c1-11(2)5-9(15-7-10-8-16-10)6-12(3,4)13(11)14/h9-10H,5-8H2,1-4H3/q-1.
What are the key properties of 2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine?
2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine has a molecular weight of 228.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine is sourced from PubChem (CID 14274507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).