5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline

C13H20N4O2 — CID 106749863

IUPAC5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline
SMILESNCCC1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1
InChIInChI=1S/C13H20N4O2/c14-6-3-10-4-7-16(8-5-10)11-1-2-13(17(18)19)12(15)9-11/h1-2,9-10H,3-8,14-15H2
InChIKeyWILXYKWVETWOLK-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.74
Rot. Bonds4

About 5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline

5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline (PubChem CID 106749863) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline
PubChem CID106749863
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline
SMILESNCCC1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1
InChIInChI=1S/C13H20N4O2/c14-6-3-10-4-7-16(8-5-10)11-1-2-13(17(18)19)12(15)9-11/h1-2,9-10H,3-8,14-15H2
InChIKeyWILXYKWVETWOLK-UHFFFAOYSA-N
XLogP1.74
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]aniline
CID 58624800
1-(3-amino-4-nitrophenyl)azetidin-3-amine
CID 106749879
5-[4-(aminomethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 115500483
6-[4-(2-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816389
2-nitro-5-piperazin-4-ium-1-ylaniline
CID 7059955
5-(4-ethylpiperazin-1-yl)-2-nitroaniline
CID 59845904
2-nitro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]aniline
CID 58624651
3-[4-(2-aminoethyl)piperidin-1-yl]-4-nitrobenzonitrile
CID 104713918
5-[3-(methoxymethyl)piperidin-1-yl]-2-nitroaniline
CID 106751923
2-nitro-5-[4-(trideuteriomethyl)piperazin-1-yl]aniline
CID 170549661
5-[4-(2-methylpropyl)piperazin-1-yl]-2-nitroaniline
CID 106751657
5-[3-(aminomethyl)pyrrolidin-1-yl]-2-nitrobenzoic acid
CID 62062751

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline?
The IUPAC name of 5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline (CID 106749863) is 5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline.
What is the SMILES notation for 5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline?
The canonical SMILES for 5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline is NCCC1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1.
What is the InChIKey of 5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline?
The InChIKey is WILXYKWVETWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-6-3-10-4-7-16(8-5-10)11-1-2-13(17(18)19)12(15)9-11/h1-2,9-10H,3-8,14-15H2.
What are the key properties of 5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline?
5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline has a molecular weight of 264.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)piperidin-1-yl]-2-nitroaniline is sourced from PubChem (CID 106749863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).