1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium

C13H18N2Y-2 — CID 58655550

IUPAC1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium
SMILES[CH2-]CCc1[c-]cccc1N1CCNCC1.[Y]
InChIInChI=1S/C13H18N2.Y/c1-2-5-12-6-3-4-7-13(12)15-10-8-14-9-11-15;/h3-4,7,14H,1-2,5,8-11H2;/q-2;
InChIKeyAKNAYLQLUFMCKA-UHFFFAOYSA-N
MW291.21 g/mol
LogP1.66
Rot. Bonds3

About 1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium

1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium (PubChem CID 58655550) has the molecular formula C13H18N2Y-2 and a molecular weight of 291.21 g/mol. Its IUPAC name is 1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium.

Molecular Properties

Compound Name1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium
PubChem CID58655550
Molecular FormulaC13H18N2Y-2
Molecular Weight291.21 g/mol
Exact Mass291.05
IUPAC Name1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium
SMILES[CH2-]CCc1[c-]cccc1N1CCNCC1.[Y]
InChIInChI=1S/C13H18N2.Y/c1-2-5-12-6-3-4-7-13(12)15-10-8-14-9-11-15;/h3-4,7,14H,1-2,5,8-11H2;/q-2;
InChIKeyAKNAYLQLUFMCKA-UHFFFAOYSA-N
XLogP1.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium?
The IUPAC name of 1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium (CID 58655550) is 1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium.
What is the SMILES notation for 1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium?
The canonical SMILES for 1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium is [CH2-]CCc1[c-]cccc1N1CCNCC1.[Y].
What is the InChIKey of 1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium?
The InChIKey is AKNAYLQLUFMCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.Y/c1-2-5-12-6-3-4-7-13(12)15-10-8-14-9-11-15;/h3-4,7,14H,1-2,5,8-11H2;/q-2;.
What are the key properties of 1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium?
1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium has a molecular weight of 291.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylbenzene-3-id-1-yl)piperazine;yttrium is sourced from PubChem (CID 58655550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).