1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine

C16H26N2O — CID 64979677

IUPAC1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
SMILESCCOc1ccc(C(C)N2CC(C)NCC2C)cc1
InChIInChI=1S/C16H26N2O/c1-5-19-16-8-6-15(7-9-16)14(4)18-11-12(2)17-10-13(18)3/h6-9,12-14,17H,5,10-11H2,1-4H3
InChIKeyVMBKHIBZCJEYTH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds4

About 1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine

1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine (PubChem CID 64979677) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
PubChem CID64979677
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
SMILESCCOc1ccc(C(C)N2CC(C)NCC2C)cc1
InChIInChI=1S/C16H26N2O/c1-5-19-16-8-6-15(7-9-16)14(4)18-11-12(2)17-10-13(18)3/h6-9,12-14,17H,5,10-11H2,1-4H3
InChIKeyVMBKHIBZCJEYTH-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine (CID 64979677) is 1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine is CCOc1ccc(C(C)N2CC(C)NCC2C)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine?
The InChIKey is VMBKHIBZCJEYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-19-16-8-6-15(7-9-16)14(4)18-11-12(2)17-10-13(18)3/h6-9,12-14,17H,5,10-11H2,1-4H3.
What are the key properties of 1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine?
1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64979677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).