4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline

C14H23N3 — CID 61262027

IUPAC4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline
SMILESCCN1CCN(C(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H23N3/c1-3-16-8-10-17(11-9-16)12(2)13-4-6-14(15)7-5-13/h4-7,12H,3,8-11,15H2,1-2H3
InChIKeyJZVDEIDDWIGDQT-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.97
Rot. Bonds3

About 4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline

4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline (PubChem CID 61262027) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline
PubChem CID61262027
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline
SMILESCCN1CCN(C(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H23N3/c1-3-16-8-10-17(11-9-16)12(2)13-4-6-14(15)7-5-13/h4-7,12H,3,8-11,15H2,1-2H3
InChIKeyJZVDEIDDWIGDQT-UHFFFAOYSA-N
XLogP1.97
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline (CID 61262027) is 4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline is CCN1CCN(C(C)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline?
The InChIKey is JZVDEIDDWIGDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-16-8-10-17(11-9-16)12(2)13-4-6-14(15)7-5-13/h4-7,12H,3,8-11,15H2,1-2H3.
What are the key properties of 4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline?
4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline has a molecular weight of 233.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 61262027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).