1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium

C11H16N3Y- — CID 155742346

IUPAC1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium
SMILESCCN1CCN(c2c[c-]ccn2)CC1.[Y]
InChIInChI=1S/C11H16N3.Y/c1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11;/h4-6H,2,7-10H2,1H3;/q-1;
InChIKeyMYXPTAGBMIIQDE-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.02
Rot. Bonds2

About 1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium

1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium (PubChem CID 155742346) has the molecular formula C11H16N3Y- and a molecular weight of 279.18 g/mol. Its IUPAC name is 1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium.

Molecular Properties

Compound Name1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium
PubChem CID155742346
Molecular FormulaC11H16N3Y-
Molecular Weight279.18 g/mol
Exact Mass279.04
IUPAC Name1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium
SMILESCCN1CCN(c2c[c-]ccn2)CC1.[Y]
InChIInChI=1S/C11H16N3.Y/c1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11;/h4-6H,2,7-10H2,1H3;/q-1;
InChIKeyMYXPTAGBMIIQDE-UHFFFAOYSA-N
XLogP1.02
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.02
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

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CID 142804401
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CID 143611351

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium?
The IUPAC name of 1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium (CID 155742346) is 1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium.
What is the SMILES notation for 1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium?
The canonical SMILES for 1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium is CCN1CCN(c2c[c-]ccn2)CC1.[Y].
What is the InChIKey of 1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium?
The InChIKey is MYXPTAGBMIIQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3.Y/c1-2-13-7-9-14(10-8-13)11-5-3-4-6-12-11;/h4-6H,2,7-10H2,1H3;/q-1;.
What are the key properties of 1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium?
1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium has a molecular weight of 279.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4H-pyridin-4-id-2-yl)piperazine;yttrium is sourced from PubChem (CID 155742346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).