[(2R)-2-formylpiperidin-1-yl]thallium

C6H10NOTl — CID 145152294

IUPAC[(2R)-2-formylpiperidin-1-yl]thallium
SMILESO=C[C@H]1CCCCN1[Tl]
InChIInChI=1S/C6H10NO.Tl/c8-5-6-3-1-2-4-7-6;/h5-6H,1-4H2;/q-1;+1/t6-;/m1./s1
InChIKeyUOKBTLSOGFQIRX-FYZOBXCZSA-N
MW316.54 g/mol
LogP0.12
Rot. Bonds1

About [(2R)-2-formylpiperidin-1-yl]thallium

[(2R)-2-formylpiperidin-1-yl]thallium (PubChem CID 145152294) has the molecular formula C6H10NOTl and a molecular weight of 316.54 g/mol. Its IUPAC name is [(2R)-2-formylpiperidin-1-yl]thallium.

Molecular Properties

Compound Name[(2R)-2-formylpiperidin-1-yl]thallium
PubChem CID145152294
Molecular FormulaC6H10NOTl
Molecular Weight316.54 g/mol
Exact Mass317.05
IUPAC Name[(2R)-2-formylpiperidin-1-yl]thallium
SMILESO=C[C@H]1CCCCN1[Tl]
InChIInChI=1S/C6H10NO.Tl/c8-5-6-3-1-2-4-7-6;/h5-6H,1-4H2;/q-1;+1/t6-;/m1./s1
InChIKeyUOKBTLSOGFQIRX-FYZOBXCZSA-N
XLogP0.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-formylpiperidin-1-yl]thallium?
The IUPAC name of [(2R)-2-formylpiperidin-1-yl]thallium (CID 145152294) is [(2R)-2-formylpiperidin-1-yl]thallium.
What is the SMILES notation for [(2R)-2-formylpiperidin-1-yl]thallium?
The canonical SMILES for [(2R)-2-formylpiperidin-1-yl]thallium is O=C[C@H]1CCCCN1[Tl].
What is the InChIKey of [(2R)-2-formylpiperidin-1-yl]thallium?
The InChIKey is UOKBTLSOGFQIRX-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H10NO.Tl/c8-5-6-3-1-2-4-7-6;/h5-6H,1-4H2;/q-1;+1/t6-;/m1./s1.
What are the key properties of [(2R)-2-formylpiperidin-1-yl]thallium?
[(2R)-2-formylpiperidin-1-yl]thallium has a molecular weight of 316.54 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-formylpiperidin-1-yl]thallium is sourced from PubChem (CID 145152294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).