1-(5-nitro-2-pyridinyl)-4-phenylpiperazine

C15H16N4O2 — CID 2848979

IUPAC1-(5-nitro-2-pyridinyl)-4-phenylpiperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C15H16N4O2/c20-19(21)14-6-7-15(16-12-14)18-10-8-17(9-11-18)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyTWDYOWBTLDZFJA-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.32
Rot. Bonds3

About 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine

1-(5-nitro-2-pyridinyl)-4-phenylpiperazine (PubChem CID 2848979) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(5-nitro-2-pyridinyl)-4-phenylpiperazine
PubChem CID2848979
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-(5-nitro-2-pyridinyl)-4-phenylpiperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C15H16N4O2/c20-19(21)14-6-7-15(16-12-14)18-10-8-17(9-11-18)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyTWDYOWBTLDZFJA-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine?
The IUPAC name of 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine (CID 2848979) is 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine?
The canonical SMILES for 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine is O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine?
The InChIKey is TWDYOWBTLDZFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-19(21)14-6-7-15(16-12-14)18-10-8-17(9-11-18)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine?
1-(5-nitro-2-pyridinyl)-4-phenylpiperazine has a molecular weight of 284.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine is sourced from PubChem (CID 2848979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).