2-nitro-1-phenyl-4-pyridin-4-ylpiperazine

C15H16N4O2 — CID 140968171

IUPAC2-nitro-1-phenyl-4-pyridin-4-ylpiperazine
SMILESO=[N+]([O-])C1CN(c2ccncc2)CCN1c1ccccc1
InChIInChI=1S/C15H16N4O2/c20-19(21)15-12-17(13-6-8-16-9-7-13)10-11-18(15)14-4-2-1-3-5-14/h1-9,15H,10-12H2
InChIKeyFTTXODNJQWAYMM-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.01
Rot. Bonds3

About 2-nitro-1-phenyl-4-pyridin-4-ylpiperazine

2-nitro-1-phenyl-4-pyridin-4-ylpiperazine (PubChem CID 140968171) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-nitro-1-phenyl-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name2-nitro-1-phenyl-4-pyridin-4-ylpiperazine
PubChem CID140968171
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-nitro-1-phenyl-4-pyridin-4-ylpiperazine
SMILESO=[N+]([O-])C1CN(c2ccncc2)CCN1c1ccccc1
InChIInChI=1S/C15H16N4O2/c20-19(21)15-12-17(13-6-8-16-9-7-13)10-11-18(15)14-4-2-1-3-5-14/h1-9,15H,10-12H2
InChIKeyFTTXODNJQWAYMM-UHFFFAOYSA-N
XLogP2.01
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
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 2-nitro-1-phenyl-4-pyridin-4-ylpiperazine?
The IUPAC name of 2-nitro-1-phenyl-4-pyridin-4-ylpiperazine (CID 140968171) is 2-nitro-1-phenyl-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 2-nitro-1-phenyl-4-pyridin-4-ylpiperazine?
The canonical SMILES for 2-nitro-1-phenyl-4-pyridin-4-ylpiperazine is O=[N+]([O-])C1CN(c2ccncc2)CCN1c1ccccc1.
What is the InChIKey of 2-nitro-1-phenyl-4-pyridin-4-ylpiperazine?
The InChIKey is FTTXODNJQWAYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-19(21)15-12-17(13-6-8-16-9-7-13)10-11-18(15)14-4-2-1-3-5-14/h1-9,15H,10-12H2.
What are the key properties of 2-nitro-1-phenyl-4-pyridin-4-ylpiperazine?
2-nitro-1-phenyl-4-pyridin-4-ylpiperazine has a molecular weight of 284.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-phenyl-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 140968171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).