1-hexylpiperazin-4-ium;yttrium

C10H22N2Y — CID 170614951

IUPAC1-hexylpiperazin-4-ium;yttrium
SMILES[CH2-]CCCCCN1CC[NH2+]CC1.[Y]
InChIInChI=1S/C10H21N2.Y/c1-2-3-4-5-8-12-9-6-11-7-10-12;/h11H,1-10H2;/q-1;/p+1
InChIKeyUOXOVDWZEIBNMB-UHFFFAOYSA-O
MW259.21 g/mol
LogP0.26
Rot. Bonds5

About 1-hexylpiperazin-4-ium;yttrium

1-hexylpiperazin-4-ium;yttrium (PubChem CID 170614951) has the molecular formula C10H22N2Y and a molecular weight of 259.21 g/mol. Its IUPAC name is 1-hexylpiperazin-4-ium;yttrium.

Molecular Properties

Compound Name1-hexylpiperazin-4-ium;yttrium
PubChem CID170614951
Molecular FormulaC10H22N2Y
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name1-hexylpiperazin-4-ium;yttrium
SMILES[CH2-]CCCCCN1CC[NH2+]CC1.[Y]
InChIInChI=1S/C10H21N2.Y/c1-2-3-4-5-8-12-9-6-11-7-10-12;/h11H,1-10H2;/q-1;/p+1
InChIKeyUOXOVDWZEIBNMB-UHFFFAOYSA-O
XLogP0.26
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexylpiperazin-4-ium;yttrium?
The IUPAC name of 1-hexylpiperazin-4-ium;yttrium (CID 170614951) is 1-hexylpiperazin-4-ium;yttrium.
What is the SMILES notation for 1-hexylpiperazin-4-ium;yttrium?
The canonical SMILES for 1-hexylpiperazin-4-ium;yttrium is [CH2-]CCCCCN1CC[NH2+]CC1.[Y].
What is the InChIKey of 1-hexylpiperazin-4-ium;yttrium?
The InChIKey is UOXOVDWZEIBNMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21N2.Y/c1-2-3-4-5-8-12-9-6-11-7-10-12;/h11H,1-10H2;/q-1;/p+1.
What are the key properties of 1-hexylpiperazin-4-ium;yttrium?
1-hexylpiperazin-4-ium;yttrium has a molecular weight of 259.21 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpiperazin-4-ium;yttrium is sourced from PubChem (CID 170614951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).