6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde

C15H18N2O2S — CID 170747513

IUPAC6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde
SMILESCC1(C)CC(Oc2ccc3cc(C=O)sc3n2)CCN1
InChIInChI=1S/C15H18N2O2S/c1-15(2)8-11(5-6-16-15)19-13-4-3-10-7-12(9-18)20-14(10)17-13/h3-4,7,9,11,16H,5-6,8H2,1-2H3
InChIKeyRTNMTGZPJKIOFA-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.02
Rot. Bonds3

About 6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde

6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 170747513) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID170747513
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde
SMILESCC1(C)CC(Oc2ccc3cc(C=O)sc3n2)CCN1
InChIInChI=1S/C15H18N2O2S/c1-15(2)8-11(5-6-16-15)19-13-4-3-10-7-12(9-18)20-14(10)17-13/h3-4,7,9,11,16H,5-6,8H2,1-2H3
InChIKeyRTNMTGZPJKIOFA-UHFFFAOYSA-N
XLogP3.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde (CID 170747513) is 6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde is CC1(C)CC(Oc2ccc3cc(C=O)sc3n2)CCN1.
What is the InChIKey of 6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is RTNMTGZPJKIOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2)8-11(5-6-16-15)19-13-4-3-10-7-12(9-18)20-14(10)17-13/h3-4,7,9,11,16H,5-6,8H2,1-2H3.
What are the key properties of 6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde?
6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 290.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpiperidin-4-yl)oxythieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 170747513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).