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

C15H24N4O2 — CID 60505922

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline
SMILESCCN1CCN(C(C)CNc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H24N4O2/c1-3-17-8-10-18(11-9-17)13(2)12-16-14-6-4-5-7-15(14)19(20)21/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyVFHBFEISBSRPFG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.03
Rot. Bonds6

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

N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline (PubChem CID 60505922) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline
PubChem CID60505922
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline
SMILESCCN1CCN(C(C)CNc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H24N4O2/c1-3-17-8-10-18(11-9-17)13(2)12-16-14-6-4-5-7-15(14)19(20)21/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyVFHBFEISBSRPFG-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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

2-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 61018070
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylsulfonylaniline
CID 71978131
N-(2-methylbutyl)-2-nitroaniline
CID 43718114
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
2,4-dinitro-N-(2-pyrrolidin-1-ylpropyl)aniline
CID 112726808
N-(2-methyl-3-methylsulfanylpropyl)-2-nitroaniline
CID 63967008
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine
CID 97221261
1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine
CID 61039638
4-nitro-3-(2-pyrrolidin-1-ylpropylamino)benzamide
CID 82992140
2-[(2-nitroanilino)methyl]butanoic acid
CID 65226735
N-methyl-4-[2-(4-methylpiperazin-1-yl)propylamino]-3-nitrobenzamide
CID 133287211
3-nitro-4-(2-pyrrolidin-1-ylpropylamino)benzamide
CID 112726814

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline (CID 60505922) is N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline is CCN1CCN(C(C)CNc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline?
The InChIKey is VFHBFEISBSRPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-17-8-10-18(11-9-17)13(2)12-16-14-6-4-5-7-15(14)19(20)21/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline?
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-nitroaniline has a molecular weight of 292.38 g/mol, XLogP of 2.03, 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)propyl]-2-nitroaniline is sourced from PubChem (CID 60505922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).