4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline

C15H25N3O — CID 67171188

IUPAC4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline
SMILESCCOCCN1CCN(c2ccc(N)cc2C)CC1
InChIInChI=1S/C15H25N3O/c1-3-19-11-10-17-6-8-18(9-7-17)15-5-4-14(16)12-13(15)2/h4-5,12H,3,6-11,16H2,1-2H3
InChIKeyXOCGSYRUFDZYTK-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.74
Rot. Bonds5

About 4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline

4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline (PubChem CID 67171188) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline.

Molecular Properties

Compound Name4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline
PubChem CID67171188
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline
SMILESCCOCCN1CCN(c2ccc(N)cc2C)CC1
InChIInChI=1S/C15H25N3O/c1-3-19-11-10-17-6-8-18(9-7-17)15-5-4-14(16)12-13(15)2/h4-5,12H,3,6-11,16H2,1-2H3
InChIKeyXOCGSYRUFDZYTK-UHFFFAOYSA-N
XLogP1.74
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline?
The IUPAC name of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline (CID 67171188) is 4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline.
What is the SMILES notation for 4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline?
The canonical SMILES for 4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline is CCOCCN1CCN(c2ccc(N)cc2C)CC1.
What is the InChIKey of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline?
The InChIKey is XOCGSYRUFDZYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-11-10-17-6-8-18(9-7-17)15-5-4-14(16)12-13(15)2/h4-5,12H,3,6-11,16H2,1-2H3.
What are the key properties of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline?
4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline has a molecular weight of 263.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-methylaniline is sourced from PubChem (CID 67171188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).