2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine

C12H19N5O2 — CID 82143786

IUPAC2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C12H19N5O2/c1-10(8-13)15-4-6-16(7-5-15)12-3-2-11(9-14-12)17(18)19/h2-3,9-10H,4-8,13H2,1H3
InChIKeyMGAFUOMNUBNPFZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.46
Rot. Bonds4

About 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine

2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine (PubChem CID 82143786) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine
PubChem CID82143786
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C12H19N5O2/c1-10(8-13)15-4-6-16(7-5-15)12-3-2-11(9-14-12)17(18)19/h2-3,9-10H,4-8,13H2,1H3
InChIKeyMGAFUOMNUBNPFZ-UHFFFAOYSA-N
XLogP0.46
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980
2-amino-1-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 61259070
2-[1-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 46827972
6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133271157
4,4-dimethyl-1-(5-nitro-2-pyridinyl)azepane
CID 133323311
1-(2,4-dimethylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 3713602
1-(3-methylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 27306784
2-hydroxyethyl 4-(5-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 79342229
2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane
CID 118275346
1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663272
4-(5-nitro-2-pyridinyl)-1,4-diazepane-1-carboxylic acid
CID 68559517
1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 133315732

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine (CID 82143786) is 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine?
The InChIKey is MGAFUOMNUBNPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-10(8-13)15-4-6-16(7-5-15)12-3-2-11(9-14-12)17(18)19/h2-3,9-10H,4-8,13H2,1H3.
What are the key properties of 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine?
2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 82143786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).