2-ethyl-5-(4-methylpiperazin-1-yl)aniline

C13H21N3 — CID 39244247

IUPAC2-ethyl-5-(4-methylpiperazin-1-yl)aniline
SMILESCCc1ccc(N2CCN(C)CC2)cc1N
InChIInChI=1S/C13H21N3/c1-3-11-4-5-12(10-13(11)14)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyPZAAEOVWOFPWSH-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.58
Rot. Bonds2

About 2-ethyl-5-(4-methylpiperazin-1-yl)aniline

2-ethyl-5-(4-methylpiperazin-1-yl)aniline (PubChem CID 39244247) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-ethyl-5-(4-methylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-ethyl-5-(4-methylpiperazin-1-yl)aniline
PubChem CID39244247
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-ethyl-5-(4-methylpiperazin-1-yl)aniline
SMILESCCc1ccc(N2CCN(C)CC2)cc1N
InChIInChI=1S/C13H21N3/c1-3-11-4-5-12(10-13(11)14)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyPZAAEOVWOFPWSH-UHFFFAOYSA-N
XLogP1.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329
[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol
CID 59473921
1-[4-(3-amino-4-ethylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 82533924
5-(4-methylpiperazin-1-yl)-2-methylsulfanylaniline
CID 176669325
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62945829
2-ethyl-6-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 83714543
5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline
CID 79689557
5-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylaniline
CID 97046861
2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 80645856
1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine
CID 143781456
4-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 58160172

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methylpiperazin-1-yl)aniline?
The IUPAC name of 2-ethyl-5-(4-methylpiperazin-1-yl)aniline (CID 39244247) is 2-ethyl-5-(4-methylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-ethyl-5-(4-methylpiperazin-1-yl)aniline?
The canonical SMILES for 2-ethyl-5-(4-methylpiperazin-1-yl)aniline is CCc1ccc(N2CCN(C)CC2)cc1N.
What is the InChIKey of 2-ethyl-5-(4-methylpiperazin-1-yl)aniline?
The InChIKey is PZAAEOVWOFPWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-11-4-5-12(10-13(11)14)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9,14H2,1-2H3.
What are the key properties of 2-ethyl-5-(4-methylpiperazin-1-yl)aniline?
2-ethyl-5-(4-methylpiperazin-1-yl)aniline has a molecular weight of 219.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methylpiperazin-1-yl)aniline is sourced from PubChem (CID 39244247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).