1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine

C15H24N2O3 — CID 2364290

IUPAC1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine
SMILESCOc1cccc(OC)c1OCCN1CCN(C)CC1
InChIInChI=1S/C15H24N2O3/c1-16-7-9-17(10-8-16)11-12-20-15-13(18-2)5-4-6-14(15)19-3/h4-6H,7-12H2,1-3H3
InChIKeyNCQJYBKGVGRVTL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.33
Rot. Bonds6

About 1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine

1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine (PubChem CID 2364290) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine
PubChem CID2364290
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine
SMILESCOc1cccc(OC)c1OCCN1CCN(C)CC1
InChIInChI=1S/C15H24N2O3/c1-16-7-9-17(10-8-16)11-12-20-15-13(18-2)5-4-6-14(15)19-3/h4-6H,7-12H2,1-3H3
InChIKeyNCQJYBKGVGRVTL-UHFFFAOYSA-N
XLogP1.33
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine (CID 2364290) is 1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine is COc1cccc(OC)c1OCCN1CCN(C)CC1.
What is the InChIKey of 1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine?
The InChIKey is NCQJYBKGVGRVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16-7-9-17(10-8-16)11-12-20-15-13(18-2)5-4-6-14(15)19-3/h4-6H,7-12H2,1-3H3.
What are the key properties of 1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine?
1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine has a molecular weight of 280.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methylpiperazine is sourced from PubChem (CID 2364290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).