1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine

C15H24N2O — CID 64930956

IUPAC1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine
SMILESCCOc1ccc(N2CC(C)(C)NCC2C)cc1
InChIInChI=1S/C15H24N2O/c1-5-18-14-8-6-13(7-9-14)17-11-15(3,4)16-10-12(17)2/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyOJFURFFJCVJOSI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine

1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine (PubChem CID 64930956) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine
PubChem CID64930956
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine
SMILESCCOc1ccc(N2CC(C)(C)NCC2C)cc1
InChIInChI=1S/C15H24N2O/c1-5-18-14-8-6-13(7-9-14)17-11-15(3,4)16-10-12(17)2/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyOJFURFFJCVJOSI-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine (CID 64930956) is 1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine is CCOc1ccc(N2CC(C)(C)NCC2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine?
The InChIKey is OJFURFFJCVJOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-18-14-8-6-13(7-9-14)17-11-15(3,4)16-10-12(17)2/h6-9,12,16H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine?
1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64930956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).