1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol

C23H46N2O3 — CID 88687607

IUPAC1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol
SMILESCN1C(C)(C)CC(O)CC1(C)C.CN1C(C)(C)CC(OCC2CO2)CC1(C)C
InChIInChI=1S/C13H25NO2.C10H21NO/c1-12(2)6-10(15-8-11-9-16-11)7-13(3,4)14(12)5;1-9(2)6-8(12)7-10(3,4)11(9)5/h10-11H,6-9H2,1-5H3;8,12H,6-7H2,1-5H3
InChIKeyKMEFQTIPTHEYAY-UHFFFAOYSA-N
MW398.63 g/mol
LogP3.68
Rot. Bonds3

About 1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol

1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol (PubChem CID 88687607) has the molecular formula C23H46N2O3 and a molecular weight of 398.63 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol
PubChem CID88687607
Molecular FormulaC23H46N2O3
Molecular Weight398.63 g/mol
Exact Mass398.35
IUPAC Name1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol
SMILESCN1C(C)(C)CC(O)CC1(C)C.CN1C(C)(C)CC(OCC2CO2)CC1(C)C
InChIInChI=1S/C13H25NO2.C10H21NO/c1-12(2)6-10(15-8-11-9-16-11)7-13(3,4)14(12)5;1-9(2)6-8(12)7-10(3,4)11(9)5/h10-11H,6-9H2,1-5H3;8,12H,6-7H2,1-5H3
InChIKeyKMEFQTIPTHEYAY-UHFFFAOYSA-N
XLogP3.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol (CID 88687607) is 1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol is CN1C(C)(C)CC(O)CC1(C)C.CN1C(C)(C)CC(OCC2CO2)CC1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol?
The InChIKey is KMEFQTIPTHEYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.C10H21NO/c1-12(2)6-10(15-8-11-9-16-11)7-13(3,4)14(12)5;1-9(2)6-8(12)7-10(3,4)11(9)5/h10-11H,6-9H2,1-5H3;8,12H,6-7H2,1-5H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol?
1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol has a molecular weight of 398.63 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol is sourced from PubChem (CID 88687607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).