2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline

C16H24N4O2 — CID 90422672

IUPAC2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
SMILESNc1cccc(N2CCC(N3CCCCC3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C16H24N4O2/c17-14-5-4-6-15(16(14)20(21)22)19-11-7-13(8-12-19)18-9-2-1-3-10-18/h4-6,13H,1-3,7-12,17H2
InChIKeyLMMONODDYSFTJX-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.63
Rot. Bonds3

About 2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline

2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline (PubChem CID 90422672) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
PubChem CID90422672
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
SMILESNc1cccc(N2CCC(N3CCCCC3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C16H24N4O2/c17-14-5-4-6-15(16(14)20(21)22)19-11-7-13(8-12-19)18-9-2-1-3-10-18/h4-6,13H,1-3,7-12,17H2
InChIKeyLMMONODDYSFTJX-UHFFFAOYSA-N
XLogP2.63
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
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

1-(3-amino-2-nitrophenyl)piperidine-4-carbonitrile
CID 166081361
2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 63075904
ethane;3-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 144667576
2-nitro-3-(4-propan-2-ylpiperazin-1-yl)aniline
CID 80792259
[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine
CID 80900424
2-nitro-3-(4-propylpiperazin-1-yl)aniline
CID 80756430
[1-(3-amino-2-nitrophenyl)piperidin-2-yl]methanol
CID 80794415
3-(3-ethoxypiperidin-1-yl)-2-nitroaniline
CID 80805662
2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 55159356
2-nitro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)aniline
CID 166046460
2-[4-(3-amino-2-nitrophenyl)-1,4-diazepan-1-yl]ethanol
CID 107226740
(2-nitro-3-piperidin-1-ylphenyl)hydrazine
CID 80913842

Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The IUPAC name of 2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline (CID 90422672) is 2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The canonical SMILES for 2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline is Nc1cccc(N2CCC(N3CCCCC3)CC2)c1[N+](=O)[O-].
What is the InChIKey of 2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The InChIKey is LMMONODDYSFTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c17-14-5-4-6-15(16(14)20(21)22)19-11-7-13(8-12-19)18-9-2-1-3-10-18/h4-6,13H,1-3,7-12,17H2.
What are the key properties of 2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline has a molecular weight of 304.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline is sourced from PubChem (CID 90422672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).