2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine

C14H22N4O2 — CID 82043498

IUPAC2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine
SMILESCCN1CCN(C(CN)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-16-6-8-17(9-7-16)14(11-15)12-4-3-5-13(10-12)18(19)20/h3-5,10,14H,2,6-9,11,15H2,1H3
InChIKeyWFXRPLCZUSYCDW-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.23
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine

2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine (PubChem CID 82043498) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine
PubChem CID82043498
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine
SMILESCCN1CCN(C(CN)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-16-6-8-17(9-7-16)14(11-15)12-4-3-5-13(10-12)18(19)20/h3-5,10,14H,2,6-9,11,15H2,1H3
InChIKeyWFXRPLCZUSYCDW-UHFFFAOYSA-N
XLogP1.23
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.23
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-[1-(3-nitrophenyl)propyl]piperazine
CID 54914405
1-[(1R)-1-(3-nitrophenyl)propyl]piperazine
CID 93464473
1-[1-(3-nitrophenyl)propyl]azetidin-3-amine
CID 65244856
2-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)ethanamine
CID 82042594
1-[(1R)-2-fluoro-1-(3-nitrophenyl)ethyl]piperazine
CID 171272406
[4-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-yl]methanamine
CID 114959769
1-ethyl-4-[2-(3-nitrophenyl)ethyl]piperazine
CID 171509282
(2S)-2-(3-nitrophenyl)-2-piperazin-1-ylethanol
CID 171182862
N-butan-2-yl-2-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]acetamide
CID 86923612
(1S)-2-amino-1-(3-nitrophenyl)ethanol
CID 55264567
2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 83231104
4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
CID 83979614

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine (CID 82043498) is 2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine is CCN1CCN(C(CN)c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine?
The InChIKey is WFXRPLCZUSYCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-16-6-8-17(9-7-16)14(11-15)12-4-3-5-13(10-12)18(19)20/h3-5,10,14H,2,6-9,11,15H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine?
2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine has a molecular weight of 278.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-2-(3-nitrophenyl)ethanamine is sourced from PubChem (CID 82043498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).