3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline

C15H25N3O — CID 114543034

IUPAC3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline
SMILESCCOc1cc(N)cc(N2CC(C)N(C)C(C)C2)c1
InChIInChI=1S/C15H25N3O/c1-5-19-15-7-13(16)6-14(8-15)18-9-11(2)17(4)12(3)10-18/h6-8,11-12H,5,9-10,16H2,1-4H3
InChIKeyRMKXTZPOPKMLDM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.20
Rot. Bonds3

About 3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline

3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline (PubChem CID 114543034) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline
PubChem CID114543034
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline
SMILESCCOc1cc(N)cc(N2CC(C)N(C)C(C)C2)c1
InChIInChI=1S/C15H25N3O/c1-5-19-15-7-13(16)6-14(8-15)18-9-11(2)17(4)12(3)10-18/h6-8,11-12H,5,9-10,16H2,1-4H3
InChIKeyRMKXTZPOPKMLDM-UHFFFAOYSA-N
XLogP2.20
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline?
The IUPAC name of 3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline (CID 114543034) is 3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline.
What is the SMILES notation for 3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline?
The canonical SMILES for 3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline is CCOc1cc(N)cc(N2CC(C)N(C)C(C)C2)c1.
What is the InChIKey of 3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline?
The InChIKey is RMKXTZPOPKMLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-19-15-7-13(16)6-14(8-15)18-9-11(2)17(4)12(3)10-18/h6-8,11-12H,5,9-10,16H2,1-4H3.
What are the key properties of 3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline?
3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline has a molecular weight of 263.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline is sourced from PubChem (CID 114543034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).