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

C17H28N2O2 — CID 2269434

IUPAC1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine
SMILESCc1cccc(C)c1OCCOCCN1CCN(C)CC1
InChIInChI=1S/C17H28N2O2/c1-15-5-4-6-16(2)17(15)21-14-13-20-12-11-19-9-7-18(3)8-10-19/h4-6H,7-14H2,1-3H3
InChIKeyQYAUCRUEQHQVCX-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.95
Rot. Bonds7

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

1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine (PubChem CID 2269434) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine
PubChem CID2269434
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine
SMILESCc1cccc(C)c1OCCOCCN1CCN(C)CC1
InChIInChI=1S/C17H28N2O2/c1-15-5-4-6-16(2)17(15)21-14-13-20-12-11-19-9-7-18(3)8-10-19/h4-6H,7-14H2,1-3H3
InChIKeyQYAUCRUEQHQVCX-UHFFFAOYSA-N
XLogP1.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine (CID 2269434) is 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine is Cc1cccc(C)c1OCCOCCN1CCN(C)CC1.
What is the InChIKey of 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The InChIKey is QYAUCRUEQHQVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-15-5-4-6-16(2)17(15)21-14-13-20-12-11-19-9-7-18(3)8-10-19/h4-6H,7-14H2,1-3H3.
What are the key properties of 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine?
1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine has a molecular weight of 292.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 2269434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).