N-ethyl-N-(4-piperazin-1-ylbutyl)aniline

C16H27N3 — CID 28808292

IUPACN-ethyl-N-(4-piperazin-1-ylbutyl)aniline
SMILESCCN(CCCCN1CCNCC1)c1ccccc1
InChIInChI=1S/C16H27N3/c1-2-19(16-8-4-3-5-9-16)13-7-6-12-18-14-10-17-11-15-18/h3-5,8-9,17H,2,6-7,10-15H2,1H3
InChIKeyWFXWHHYIXCAIGG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.20
Rot. Bonds7

About N-ethyl-N-(4-piperazin-1-ylbutyl)aniline

N-ethyl-N-(4-piperazin-1-ylbutyl)aniline (PubChem CID 28808292) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-N-(4-piperazin-1-ylbutyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(4-piperazin-1-ylbutyl)aniline
PubChem CID28808292
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-ethyl-N-(4-piperazin-1-ylbutyl)aniline
SMILESCCN(CCCCN1CCNCC1)c1ccccc1
InChIInChI=1S/C16H27N3/c1-2-19(16-8-4-3-5-9-16)13-7-6-12-18-14-10-17-11-15-18/h3-5,8-9,17H,2,6-7,10-15H2,1H3
InChIKeyWFXWHHYIXCAIGG-UHFFFAOYSA-N
XLogP2.20
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(4-piperazin-1-ylbutyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentylpiperazine;toluene
CID 68982278
4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390940
1-[3-(N-ethylanilino)propyl]imidazolidin-2-one
CID 112708178
N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
CID 115240359
4-(N-ethylanilino)butanoic acid
CID 11390560
N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
CID 117408812
4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
CID 115240347
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111390136
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
6-(N-ethylanilino)hexan-3-one
CID 106801166
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
2H-benzotriazole;1-pentylpiperazine
CID 174694727

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-piperazin-1-ylbutyl)aniline?
The IUPAC name of N-ethyl-N-(4-piperazin-1-ylbutyl)aniline (CID 28808292) is N-ethyl-N-(4-piperazin-1-ylbutyl)aniline.
What is the SMILES notation for N-ethyl-N-(4-piperazin-1-ylbutyl)aniline?
The canonical SMILES for N-ethyl-N-(4-piperazin-1-ylbutyl)aniline is CCN(CCCCN1CCNCC1)c1ccccc1.
What is the InChIKey of N-ethyl-N-(4-piperazin-1-ylbutyl)aniline?
The InChIKey is WFXWHHYIXCAIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-19(16-8-4-3-5-9-16)13-7-6-12-18-14-10-17-11-15-18/h3-5,8-9,17H,2,6-7,10-15H2,1H3.
What are the key properties of N-ethyl-N-(4-piperazin-1-ylbutyl)aniline?
N-ethyl-N-(4-piperazin-1-ylbutyl)aniline has a molecular weight of 261.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-piperazin-1-ylbutyl)aniline is sourced from PubChem (CID 28808292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).