1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine

C12H18N4O2 — CID 146108324

IUPAC1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C12H18N4O2/c1-9(2)11-8-13-5-6-15(11)10-3-4-12(14-7-10)16(17)18/h3-4,7,9,11,13H,5-6,8H2,1-2H3
InChIKeyNNZDKNDGUNFMMC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.42
Rot. Bonds3

About 1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine

1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine (PubChem CID 146108324) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine
PubChem CID146108324
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C12H18N4O2/c1-9(2)11-8-13-5-6-15(11)10-3-4-12(14-7-10)16(17)18/h3-4,7,9,11,13H,5-6,8H2,1-2H3
InChIKeyNNZDKNDGUNFMMC-UHFFFAOYSA-N
XLogP1.42
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.42
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

(2R)-2-methyl-1-(6-nitro-3-pyridinyl)piperazine
CID 94546157
1-(3,4-dichlorophenyl)-2-propan-2-ylpiperazine
CID 64936711
ethane;1-(6-nitro-3-pyridinyl)piperazin-2-one
CID 144913210
1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine
CID 64937086
3,3,5,5-tetradeuterio-1-(6-nitro-3-pyridinyl)piperazine
CID 162640866
ethane;2-nitro-5-piperidin-1-ylpyridine
CID 142329897
2-propan-2-yl-1-(3,4,5-trifluorophenyl)piperazine
CID 64930921
4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 154640970
2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64938811
3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine
CID 82994580
1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
CID 64932305
methyl 3-[(2S)-2-propan-2-ylpiperazin-1-yl]benzoate
CID 45073000

Frequently Asked Questions

What is the IUPAC name of 1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine (CID 146108324) is 1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine is CC(C)C1CNCCN1c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of 1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine?
The InChIKey is NNZDKNDGUNFMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(2)11-8-13-5-6-15(11)10-3-4-12(14-7-10)16(17)18/h3-4,7,9,11,13H,5-6,8H2,1-2H3.
What are the key properties of 1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine?
1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine has a molecular weight of 250.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nitro-3-pyridinyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 146108324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).