2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine

C23H37NO4 — CID 20588145

IUPAC2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine
SMILESCCCOC1CC(C)(C)N(OC(C)c2ccccc2OCC2CO2)C(C)(C)C1
InChIInChI=1S/C23H37NO4/c1-7-12-25-18-13-22(3,4)24(23(5,6)14-18)28-17(2)20-10-8-9-11-21(20)27-16-19-15-26-19/h8-11,17-19H,7,12-16H2,1-6H3
InChIKeyTXPAUNZYDYVHJS-UHFFFAOYSA-N
MW391.55 g/mol
LogP4.91
Rot. Bonds9

About 2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine

2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine (PubChem CID 20588145) has the molecular formula C23H37NO4 and a molecular weight of 391.55 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine
PubChem CID20588145
Molecular FormulaC23H37NO4
Molecular Weight391.55 g/mol
Exact Mass391.27
IUPAC Name2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine
SMILESCCCOC1CC(C)(C)N(OC(C)c2ccccc2OCC2CO2)C(C)(C)C1
InChIInChI=1S/C23H37NO4/c1-7-12-25-18-13-22(3,4)24(23(5,6)14-18)28-17(2)20-10-8-9-11-21(20)27-16-19-15-26-19/h8-11,17-19H,7,12-16H2,1-6H3
InChIKeyTXPAUNZYDYVHJS-UHFFFAOYSA-N
XLogP4.91
TPSA43.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 54.91
H-Bond Donors ≤ 50
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 2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine (CID 20588145) is 2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine is CCCOC1CC(C)(C)N(OC(C)c2ccccc2OCC2CO2)C(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine?
The InChIKey is TXPAUNZYDYVHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO4/c1-7-12-25-18-13-22(3,4)24(23(5,6)14-18)28-17(2)20-10-8-9-11-21(20)27-16-19-15-26-19/h8-11,17-19H,7,12-16H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine?
2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine has a molecular weight of 391.55 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethoxy]-4-propoxypiperidine is sourced from PubChem (CID 20588145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).