lithium 1-methylpiperazin-4-ide

C5H11LiN2 — CID 11789143

IUPAClithium 1-methylpiperazin-4-ide
SMILESCN1CC[N-]CC1.[Li+]
InChIInChI=1S/C5H11N2.Li/c1-7-4-2-6-3-5-7;/h2-5H2,1H3;/q-1;+1
InChIKeyQVLUVDRMLBBAOV-UHFFFAOYSA-N
MW106.10 g/mol
LogP-2.69
Rot. Bonds

About lithium 1-methylpiperazin-4-ide

lithium 1-methylpiperazin-4-ide (PubChem CID 11789143) has the molecular formula C5H11LiN2 and a molecular weight of 106.10 g/mol. Its IUPAC name is lithium 1-methylpiperazin-4-ide.

Molecular Properties

Compound Namelithium 1-methylpiperazin-4-ide
PubChem CID11789143
Molecular FormulaC5H11LiN2
Molecular Weight106.10 g/mol
Exact Mass106.11
IUPAC Namelithium 1-methylpiperazin-4-ide
SMILESCN1CC[N-]CC1.[Li+]
InChIInChI=1S/C5H11N2.Li/c1-7-4-2-6-3-5-7;/h2-5H2,1H3;/q-1;+1
InChIKeyQVLUVDRMLBBAOV-UHFFFAOYSA-N
XLogP-2.69
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 5-2.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 1-methylpiperazin-4-ide?
The IUPAC name of lithium 1-methylpiperazin-4-ide (CID 11789143) is lithium 1-methylpiperazin-4-ide.
What is the SMILES notation for lithium 1-methylpiperazin-4-ide?
The canonical SMILES for lithium 1-methylpiperazin-4-ide is CN1CC[N-]CC1.[Li+].
What is the InChIKey of lithium 1-methylpiperazin-4-ide?
The InChIKey is QVLUVDRMLBBAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2.Li/c1-7-4-2-6-3-5-7;/h2-5H2,1H3;/q-1;+1.
What are the key properties of lithium 1-methylpiperazin-4-ide?
lithium 1-methylpiperazin-4-ide has a molecular weight of 106.10 g/mol, XLogP of -2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methylpiperazin-4-ide is sourced from PubChem (CID 11789143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).