4-(4-ethylpiperazin-1-yl)aniline

C12H19N3 — CID 936738

IUPAC4-(4-ethylpiperazin-1-yl)aniline
SMILESCCN1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3
InChIKeyKEPUOYACJXZYTQ-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.41
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)aniline

4-(4-ethylpiperazin-1-yl)aniline (PubChem CID 936738) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)aniline
PubChem CID936738
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4-(4-ethylpiperazin-1-yl)aniline
SMILESCCN1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3
InChIKeyKEPUOYACJXZYTQ-UHFFFAOYSA-N
XLogP1.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)aniline?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)aniline (CID 936738) is 4-(4-ethylpiperazin-1-yl)aniline.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)aniline?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)aniline is CCN1CCN(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)aniline?
The InChIKey is KEPUOYACJXZYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)aniline?
4-(4-ethylpiperazin-1-yl)aniline has a molecular weight of 205.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)aniline is sourced from PubChem (CID 936738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).