bis(2-piperidin-1-ylethoxymethanone);yttrium

C16H28N2O4Y-2 — CID 59977375

IUPACbis(2-piperidin-1-ylethoxymethanone);yttrium
SMILESO=[C-]OCCN1CCCCC1.O=[C-]OCCN1CCCCC1.[Y]
InChIInChI=1S/2C8H14NO2.Y/c2*10-8-11-7-6-9-4-2-1-3-5-9;/h2*1-7H2;/q2*-1;
InChIKeyRXLXXTZMWQZAOV-UHFFFAOYSA-N
MW401.32 g/mol
LogP1.11
Rot. Bonds8

About bis(2-piperidin-1-ylethoxymethanone);yttrium

bis(2-piperidin-1-ylethoxymethanone);yttrium (PubChem CID 59977375) has the molecular formula C16H28N2O4Y-2 and a molecular weight of 401.32 g/mol. Its IUPAC name is bis(2-piperidin-1-ylethoxymethanone);yttrium.

Molecular Properties

Compound Namebis(2-piperidin-1-ylethoxymethanone);yttrium
PubChem CID59977375
Molecular FormulaC16H28N2O4Y-2
Molecular Weight401.32 g/mol
Exact Mass401.11
IUPAC Namebis(2-piperidin-1-ylethoxymethanone);yttrium
SMILESO=[C-]OCCN1CCCCC1.O=[C-]OCCN1CCCCC1.[Y]
InChIInChI=1S/2C8H14NO2.Y/c2*10-8-11-7-6-9-4-2-1-3-5-9;/h2*1-7H2;/q2*-1;
InChIKeyRXLXXTZMWQZAOV-UHFFFAOYSA-N
XLogP1.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 bis(2-piperidin-1-ylethoxymethanone);yttrium?
The IUPAC name of bis(2-piperidin-1-ylethoxymethanone);yttrium (CID 59977375) is bis(2-piperidin-1-ylethoxymethanone);yttrium.
What is the SMILES notation for bis(2-piperidin-1-ylethoxymethanone);yttrium?
The canonical SMILES for bis(2-piperidin-1-ylethoxymethanone);yttrium is O=[C-]OCCN1CCCCC1.O=[C-]OCCN1CCCCC1.[Y].
What is the InChIKey of bis(2-piperidin-1-ylethoxymethanone);yttrium?
The InChIKey is RXLXXTZMWQZAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14NO2.Y/c2*10-8-11-7-6-9-4-2-1-3-5-9;/h2*1-7H2;/q2*-1;.
What are the key properties of bis(2-piperidin-1-ylethoxymethanone);yttrium?
bis(2-piperidin-1-ylethoxymethanone);yttrium has a molecular weight of 401.32 g/mol, XLogP of 1.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-piperidin-1-ylethoxymethanone);yttrium is sourced from PubChem (CID 59977375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).