1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine

C14H20N4O4 — CID 174454326

IUPAC1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20N4O4/c1-11(2)10-15-6-8-16(9-7-15)14-12(17(19)20)4-3-5-13(14)18(21)22/h3-5,11H,6-10H2,1-2H3
InChIKeyUGLYAOIENCFYMM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.28
Rot. Bonds5

About 1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine

1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine (PubChem CID 174454326) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine
PubChem CID174454326
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20N4O4/c1-11(2)10-15-6-8-16(9-7-15)14-12(17(19)20)4-3-5-13(14)18(21)22/h3-5,11H,6-10H2,1-2H3
InChIKeyUGLYAOIENCFYMM-UHFFFAOYSA-N
XLogP2.28
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
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 1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine (CID 174454326) is 1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine?
The InChIKey is UGLYAOIENCFYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-11(2)10-15-6-8-16(9-7-15)14-12(17(19)20)4-3-5-13(14)18(21)22/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine?
1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine has a molecular weight of 308.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 174454326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).