1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine

C18H29NO2 — CID 141005343

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccccc1OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C18H29NO2/c1-17(2)11-8-12-18(3,4)19(17)13-14-21-16-10-7-6-9-15(16)20-5/h6-7,9-10H,8,11-14H2,1-5H3
InChIKeyIJETYKFNKJXWGY-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.12
Rot. Bonds5

About 1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine

1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 141005343) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
PubChem CID141005343
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccccc1OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C18H29NO2/c1-17(2)11-8-12-18(3,4)19(17)13-14-21-16-10-7-6-9-15(16)20-5/h6-7,9-10H,8,11-14H2,1-5H3
InChIKeyIJETYKFNKJXWGY-UHFFFAOYSA-N
XLogP4.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine (CID 141005343) is 1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine is COc1ccccc1OCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is IJETYKFNKJXWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2)11-8-12-18(3,4)19(17)13-14-21-16-10-7-6-9-15(16)20-5/h6-7,9-10H,8,11-14H2,1-5H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine?
1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 291.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 141005343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).