2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione

C15H20N2O2 — CID 10015477

IUPAC2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione
SMILESCN1CCN(C2=CC(=O)C3=C(CCCC3)C2=O)CC1
InChIInChI=1S/C15H20N2O2/c1-16-6-8-17(9-7-16)13-10-14(18)11-4-2-3-5-12(11)15(13)19/h10H,2-9H2,1H3
InChIKeyICEZICGGADWHHQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.14
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione

2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione (PubChem CID 10015477) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione
PubChem CID10015477
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione
SMILESCN1CCN(C2=CC(=O)C3=C(CCCC3)C2=O)CC1
InChIInChI=1S/C15H20N2O2/c1-16-6-8-17(9-7-16)13-10-14(18)11-4-2-3-5-12(11)15(13)19/h10H,2-9H2,1H3
InChIKeyICEZICGGADWHHQ-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione (CID 10015477) is 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione is CN1CCN(C2=CC(=O)C3=C(CCCC3)C2=O)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione?
The InChIKey is ICEZICGGADWHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-6-8-17(9-7-16)13-10-14(18)11-4-2-3-5-12(11)15(13)19/h10H,2-9H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione?
2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione has a molecular weight of 260.34 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione is sourced from PubChem (CID 10015477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).