1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine

C16H26N2O3 — CID 2269897

IUPAC1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine
SMILESCOc1ccc(OCCOCCN2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O3/c1-17-7-9-18(10-8-17)11-12-20-13-14-21-16-5-3-15(19-2)4-6-16/h3-6H,7-14H2,1-2H3
InChIKeyVDMLQDHUNYSOTB-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.34
Rot. Bonds8

About 1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine

1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine (PubChem CID 2269897) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine
PubChem CID2269897
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine
SMILESCOc1ccc(OCCOCCN2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O3/c1-17-7-9-18(10-8-17)11-12-20-13-14-21-16-5-3-15(19-2)4-6-16/h3-6H,7-14H2,1-2H3
InChIKeyVDMLQDHUNYSOTB-UHFFFAOYSA-N
XLogP1.34
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine (CID 2269897) is 1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine is COc1ccc(OCCOCCN2CCN(C)CC2)cc1.
What is the InChIKey of 1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine?
The InChIKey is VDMLQDHUNYSOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-17-7-9-18(10-8-17)11-12-20-13-14-21-16-5-3-15(19-2)4-6-16/h3-6H,7-14H2,1-2H3.
What are the key properties of 1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine?
1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine has a molecular weight of 294.39 g/mol, XLogP of 1.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 2269897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).