2-ethyl-6-(piperazin-1-ylmethyl)aniline

C13H21N3 — CID 82509243

IUPAC2-ethyl-6-(piperazin-1-ylmethyl)aniline
SMILESCCc1cccc(CN2CCNCC2)c1N
InChIInChI=1S/C13H21N3/c1-2-11-4-3-5-12(13(11)14)10-16-8-6-15-7-9-16/h3-5,15H,2,6-10,14H2,1H3
InChIKeyAAQQUYPKOROHDI-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.24
Rot. Bonds3

About 2-ethyl-6-(piperazin-1-ylmethyl)aniline

2-ethyl-6-(piperazin-1-ylmethyl)aniline (PubChem CID 82509243) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-ethyl-6-(piperazin-1-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethyl-6-(piperazin-1-ylmethyl)aniline
PubChem CID82509243
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-ethyl-6-(piperazin-1-ylmethyl)aniline
SMILESCCc1cccc(CN2CCNCC2)c1N
InChIInChI=1S/C13H21N3/c1-2-11-4-3-5-12(13(11)14)10-16-8-6-15-7-9-16/h3-5,15H,2,6-10,14H2,1H3
InChIKeyAAQQUYPKOROHDI-UHFFFAOYSA-N
XLogP1.24
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
2,6-diethylaniline;propane
CID 174429495
1-[(2-bromo-3-methylphenyl)methyl]piperazine
CID 83742586
1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117410722
1-[(3-chloro-2-ethoxyphenyl)methyl]piperazine
CID 120833653
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[(3-bromo-2-fluorophenyl)methyl]piperazine
CID 83744163
1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione
CID 117487288

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(piperazin-1-ylmethyl)aniline?
The IUPAC name of 2-ethyl-6-(piperazin-1-ylmethyl)aniline (CID 82509243) is 2-ethyl-6-(piperazin-1-ylmethyl)aniline.
What is the SMILES notation for 2-ethyl-6-(piperazin-1-ylmethyl)aniline?
The canonical SMILES for 2-ethyl-6-(piperazin-1-ylmethyl)aniline is CCc1cccc(CN2CCNCC2)c1N.
What is the InChIKey of 2-ethyl-6-(piperazin-1-ylmethyl)aniline?
The InChIKey is AAQQUYPKOROHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-11-4-3-5-12(13(11)14)10-16-8-6-15-7-9-16/h3-5,15H,2,6-10,14H2,1H3.
What are the key properties of 2-ethyl-6-(piperazin-1-ylmethyl)aniline?
2-ethyl-6-(piperazin-1-ylmethyl)aniline has a molecular weight of 219.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(piperazin-1-ylmethyl)aniline is sourced from PubChem (CID 82509243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).