4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine

C11H14N4O — CID 1095028

IUPAC4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine
SMILESNc1ccc(N2CCCCC2)c2nonc12
InChIInChI=1S/C11H14N4O/c12-8-4-5-9(11-10(8)13-16-14-11)15-6-2-1-3-7-15/h4-5H,1-3,6-7,12H2
InChIKeyLTNPOSGMLWWFOH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.80
Rot. Bonds1

About 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine

4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine (PubChem CID 1095028) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine
PubChem CID1095028
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine
SMILESNc1ccc(N2CCCCC2)c2nonc12
InChIInChI=1S/C11H14N4O/c12-8-4-5-9(11-10(8)13-16-14-11)15-6-2-1-3-7-15/h4-5H,1-3,6-7,12H2
InChIKeyLTNPOSGMLWWFOH-UHFFFAOYSA-N
XLogP1.80
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methyl-1-piperazinyl)-7-nitro-2,1,3-benzoxadiazole 3-oxide
CID 42640
7-nitro-N-(benzyl)benzofurazan-4-amine
CID 87615
4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine
CID 356301
N-methyl-7-nitro-N-phenyl-2,1,3-benzoxadiazol-4-amine
CID 2939673
7-(Morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
CID 1095027
4-Benzofurazanamine, N,N-dimethyl-7-nitro-
CID 15079
N-Methyl-7-nitro-2,1,3-benzoxadiazol-4-amine
CID 606532
N-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 2836648
7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine
CID 1939012
7-Nitro-N4-phenyl-2,1,3-benzoxadiazole-4,6-diamine
CID 6617300
5-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-4-amine
CID 15564667
4-Nitro-N-phenyl-2,1,3-benzoxadiazol-5-amine
CID 620565

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine (CID 1095028) is 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine is Nc1ccc(N2CCCCC2)c2nonc12.
What is the InChIKey of 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine?
The InChIKey is LTNPOSGMLWWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-8-4-5-9(11-10(8)13-16-14-11)15-6-2-1-3-7-15/h4-5H,1-3,6-7,12H2.
What are the key properties of 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine?
4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine has a molecular weight of 218.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 1095028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).