1-(4-nitro-3-piperidin-1-ylphenyl)piperazine

C15H22N4O2 — CID 2867076

IUPAC1-(4-nitro-3-piperidin-1-ylphenyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCCCC1
InChIInChI=1S/C15H22N4O2/c20-19(21)14-5-4-13(17-10-6-16-7-11-17)12-15(14)18-8-2-1-3-9-18/h4-5,12,16H,1-3,6-11H2
InChIKeyIEZDTNCUMWPRTD-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.99
Rot. Bonds3

About 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine

1-(4-nitro-3-piperidin-1-ylphenyl)piperazine (PubChem CID 2867076) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-nitro-3-piperidin-1-ylphenyl)piperazine
PubChem CID2867076
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(4-nitro-3-piperidin-1-ylphenyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCCCC1
InChIInChI=1S/C15H22N4O2/c20-19(21)14-5-4-13(17-10-6-16-7-11-17)12-15(14)18-8-2-1-3-9-18/h4-5,12,16H,1-3,6-11H2
InChIKeyIEZDTNCUMWPRTD-UHFFFAOYSA-N
XLogP1.99
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine?
The IUPAC name of 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine (CID 2867076) is 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine.
What is the SMILES notation for 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine?
The canonical SMILES for 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine is O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCCCC1.
What is the InChIKey of 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine?
The InChIKey is IEZDTNCUMWPRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-19(21)14-5-4-13(17-10-6-16-7-11-17)12-15(14)18-8-2-1-3-9-18/h4-5,12,16H,1-3,6-11H2.
What are the key properties of 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine?
1-(4-nitro-3-piperidin-1-ylphenyl)piperazine has a molecular weight of 290.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine is sourced from PubChem (CID 2867076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).