4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol

C15H16N4O3 — CID 4795510

IUPAC4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)cn1
InChIInChI=1S/C15H16N4O3/c20-14-4-1-12(2-5-14)17-7-9-18(10-8-17)13-3-6-15(16-11-13)19(21)22/h1-6,11,20H,7-10H2
InChIKeyBRNVSBRGENQMFO-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.02
Rot. Bonds3

About 4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol

4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol (PubChem CID 4795510) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol
PubChem CID4795510
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)cn1
InChIInChI=1S/C15H16N4O3/c20-14-4-1-12(2-5-14)17-7-9-18(10-8-17)13-3-6-15(16-11-13)19(21)22/h1-6,11,20H,7-10H2
InChIKeyBRNVSBRGENQMFO-UHFFFAOYSA-N
XLogP2.02
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol (CID 4795510) is 4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol is O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)cn1.
What is the InChIKey of 4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol?
The InChIKey is BRNVSBRGENQMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14-4-1-12(2-5-14)17-7-9-18(10-8-17)13-3-6-15(16-11-13)19(21)22/h1-6,11,20H,7-10H2.
What are the key properties of 4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol?
4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol has a molecular weight of 300.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]phenol is sourced from PubChem (CID 4795510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).