lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine

C11H16LiN3 — CID 134970813

IUPAClithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine
SMILESCCN1CCN(c2ccc[c-]n2)CC1.[Li+]
InChIInChI=1S/C11H16N3.Li/c1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11;/h3-5H,2,7-10H2,1H3;/q-1;+1
InChIKeyHWDOOZRCGLTTON-UHFFFAOYSA-N
MW197.21 g/mol
LogP-1.97
Rot. Bonds2

About lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine

lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine (PubChem CID 134970813) has the molecular formula C11H16LiN3 and a molecular weight of 197.21 g/mol. Its IUPAC name is lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine.

Molecular Properties

Compound Namelithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine
PubChem CID134970813
Molecular FormulaC11H16LiN3
Molecular Weight197.21 g/mol
Exact Mass197.15
IUPAC Namelithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine
SMILESCCN1CCN(c2ccc[c-]n2)CC1.[Li+]
InChIInChI=1S/C11H16N3.Li/c1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11;/h3-5H,2,7-10H2,1H3;/q-1;+1
InChIKeyHWDOOZRCGLTTON-UHFFFAOYSA-N
XLogP-1.97
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-1.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 68309739
(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 88931237
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine
CID 144895565
N-[(1Z)-1-(4-methylpiperazin-1-yl)buta-1,3-dienyl]ethanimine
CID 174037802

Frequently Asked Questions

What is the IUPAC name of lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine?
The IUPAC name of lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine (CID 134970813) is lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine.
What is the SMILES notation for lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine?
The canonical SMILES for lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine is CCN1CCN(c2ccc[c-]n2)CC1.[Li+].
What is the InChIKey of lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine?
The InChIKey is HWDOOZRCGLTTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3.Li/c1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11;/h3-5H,2,7-10H2,1H3;/q-1;+1.
What are the key properties of lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine?
lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine has a molecular weight of 197.21 g/mol, XLogP of -1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-ethyl-4-(2H-pyridin-2-id-6-yl)piperazine is sourced from PubChem (CID 134970813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).