N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline

C16H27N3 — CID 117408812

IUPACN,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
SMILESCCN(CC)c1ccccc1CCN1CCNCC1
InChIInChI=1S/C16H27N3/c1-3-19(4-2)16-8-6-5-7-15(16)9-12-18-13-10-17-11-14-18/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyANAZOVLHUVDEFK-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.98
Rot. Bonds6

About N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline

N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline (PubChem CID 117408812) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
PubChem CID117408812
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
SMILESCCN(CC)c1ccccc1CCN1CCNCC1
InChIInChI=1S/C16H27N3/c1-3-19(4-2)16-8-6-5-7-15(16)9-12-18-13-10-17-11-14-18/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyANAZOVLHUVDEFK-UHFFFAOYSA-N
XLogP1.98
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-(2-piperazin-1-ylethyl)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-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol
CID 117379674
N-ethyl-N-(4-piperazin-1-ylbutyl)aniline
CID 28808292
1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-methyl-7-(2-piperazin-1-ylethyl)indole
CID 117360826
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117402585
1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine
CID 117475097

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline?
The IUPAC name of N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline (CID 117408812) is N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline.
What is the SMILES notation for N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline?
The canonical SMILES for N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline is CCN(CC)c1ccccc1CCN1CCNCC1.
What is the InChIKey of N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline?
The InChIKey is ANAZOVLHUVDEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-19(4-2)16-8-6-5-7-15(16)9-12-18-13-10-17-11-14-18/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline?
N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline has a molecular weight of 261.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline is sourced from PubChem (CID 117408812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).