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

C17H28N2O4 — CID 2887619

IUPAC1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine
SMILESCOc1cccc(OC)c1OCCOCCN1CCN(C)CC1
InChIInChI=1S/C17H28N2O4/c1-18-7-9-19(10-8-18)11-12-22-13-14-23-17-15(20-2)5-4-6-16(17)21-3/h4-6H,7-14H2,1-3H3
InChIKeyHHZBXUUFGARUHT-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.35
Rot. Bonds9

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

1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine (PubChem CID 2887619) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine
PubChem CID2887619
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine
SMILESCOc1cccc(OC)c1OCCOCCN1CCN(C)CC1
InChIInChI=1S/C17H28N2O4/c1-18-7-9-19(10-8-18)11-12-22-13-14-23-17-15(20-2)5-4-6-16(17)21-3/h4-6H,7-14H2,1-3H3
InChIKeyHHZBXUUFGARUHT-UHFFFAOYSA-N
XLogP1.35
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine (CID 2887619) is 1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine is COc1cccc(OC)c1OCCOCCN1CCN(C)CC1.
What is the InChIKey of 1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The InChIKey is HHZBXUUFGARUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-18-7-9-19(10-8-18)11-12-22-13-14-23-17-15(20-2)5-4-6-16(17)21-3/h4-6H,7-14H2,1-3H3.
What are the key properties of 1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine?
1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine has a molecular weight of 324.42 g/mol, XLogP of 1.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 2887619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).