2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline

C14H23N3O — CID 43384244

IUPAC2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline
SMILESCCOCCN1CCN(c2ccccc2N)CC1
InChIInChI=1S/C14H23N3O/c1-2-18-12-11-16-7-9-17(10-8-16)14-6-4-3-5-13(14)15/h3-6H,2,7-12,15H2,1H3
InChIKeyBZIZFXZJJCVLBS-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.43
Rot. Bonds5

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

2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline (PubChem CID 43384244) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline
PubChem CID43384244
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline
SMILESCCOCCN1CCN(c2ccccc2N)CC1
InChIInChI=1S/C14H23N3O/c1-2-18-12-11-16-7-9-17(10-8-16)14-6-4-3-5-13(14)15/h3-6H,2,7-12,15H2,1H3
InChIKeyBZIZFXZJJCVLBS-UHFFFAOYSA-N
XLogP1.43
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline?
The IUPAC name of 2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline (CID 43384244) is 2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline.
What is the SMILES notation for 2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline?
The canonical SMILES for 2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline is CCOCCN1CCN(c2ccccc2N)CC1.
What is the InChIKey of 2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline?
The InChIKey is BZIZFXZJJCVLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-18-12-11-16-7-9-17(10-8-16)14-6-4-3-5-13(14)15/h3-6H,2,7-12,15H2,1H3.
What are the key properties of 2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline?
2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline has a molecular weight of 249.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 43384244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).