N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline

C15H24N4O2 — CID 133389194

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline
SMILESCCN1CCN(CCNc2ccc(C)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H24N4O2/c1-3-17-8-10-18(11-9-17)7-6-16-14-5-4-13(2)12-15(14)19(20)21/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyVQRPWXZGXZDCKN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline

N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline (PubChem CID 133389194) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline
PubChem CID133389194
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline
SMILESCCN1CCN(CCNc2ccc(C)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H24N4O2/c1-3-17-8-10-18(11-9-17)7-6-16-14-5-4-13(2)12-15(14)19(20)21/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyVQRPWXZGXZDCKN-UHFFFAOYSA-N
XLogP1.95
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-nitroaniline
CID 39008788
4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-nitrobenzaldehyde
CID 115279399
2-(4-methyl-2-nitroanilino)ethanol
CID 158468910
N'-(4-methyl-2-nitrophenyl)butane-1,4-diamine
CID 60893804
N-(2-ethylsulfonylethyl)-4-methyl-2-nitroaniline
CID 103846631
4-methyl-N-(2-methylbutan-2-yl)-2-nitroaniline
CID 115763646
N,N-diethyl-4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-3-nitrobenzenesulfonamide
CID 38795057
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-3-nitrobenzonitrile
CID 38795153
4-methyl-N-(2-methylsulfanylethyl)-2-nitroaniline
CID 63965009
4-[2-(4-acetylpiperazin-1-yl)ethylamino]-3-nitrobenzamide
CID 60502670
4-methyl-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 54935176
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-nitroaniline
CID 62994736

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline (CID 133389194) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline is CCN1CCN(CCNc2ccc(C)cc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline?
The InChIKey is VQRPWXZGXZDCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-17-8-10-18(11-9-17)7-6-16-14-5-4-13(2)12-15(14)19(20)21/h4-5,12,16H,3,6-11H2,1-2H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline has a molecular weight of 292.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-nitroaniline is sourced from PubChem (CID 133389194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).