N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline

C15H24N4O2 — CID 80817019

IUPACN-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline
SMILESCCNc1cc(N2CCN(CC)C(C)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H24N4O2/c1-4-16-13-8-14(10-15(9-13)19(20)21)18-7-6-17(5-2)12(3)11-18/h8-10,12,16H,4-7,11H2,1-3H3
InChIKeyQGEVIZSFPYIJAZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.56
Rot. Bonds5

About N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline

N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline (PubChem CID 80817019) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline.

Molecular Properties

Compound NameN-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline
PubChem CID80817019
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline
SMILESCCNc1cc(N2CCN(CC)C(C)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H24N4O2/c1-4-16-13-8-14(10-15(9-13)19(20)21)18-7-6-17(5-2)12(3)11-18/h8-10,12,16H,4-7,11H2,1-3H3
InChIKeyQGEVIZSFPYIJAZ-UHFFFAOYSA-N
XLogP2.56
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.56
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

1-[3-(ethylamino)-5-nitrophenyl]piperidin-4-ol
CID 80763699
N-ethyl-3-(2-methylpiperidin-1-yl)-5-nitroaniline
CID 80766851
1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide
CID 80729334
1-[3-(ethylamino)-5-nitrophenyl]-3-methylpyrrolidin-3-ol
CID 103358917
8-[3-(ethylamino)-5-nitrophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80818737
4-[3-(ethylamino)-5-nitrophenyl]-1-methyl-1,4-diazepan-2-one
CID 102887864
3-(3-methoxypiperidin-1-yl)-5-nitro-N-propylaniline
CID 102971672
N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline
CID 83045065
3-(4,4-dimethylpiperidin-1-yl)-5-nitro-N-propylaniline
CID 80808279
3-nitro-N-propyl-5-thiomorpholin-4-ylaniline
CID 80764613
3-(2-methylpyrrolidin-1-yl)-5-nitro-N-propylaniline
CID 80791595
3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoroaniline
CID 63609800

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline?
The IUPAC name of N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline (CID 80817019) is N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline.
What is the SMILES notation for N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline?
The canonical SMILES for N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline is CCNc1cc(N2CCN(CC)C(C)C2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline?
The InChIKey is QGEVIZSFPYIJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-16-13-8-14(10-15(9-13)19(20)21)18-7-6-17(5-2)12(3)11-18/h8-10,12,16H,4-7,11H2,1-3H3.
What are the key properties of N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline?
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline has a molecular weight of 292.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline is sourced from PubChem (CID 80817019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).