6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde

C14H16N2OS — CID 170747425

IUPAC6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESCN1CCCC(c2ccc3cc(C=O)sc3n2)C1
InChIInChI=1S/C14H16N2OS/c1-16-6-2-3-11(8-16)13-5-4-10-7-12(9-17)18-14(10)15-13/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyAMHGPSDKZBQKMM-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.92
Rot. Bonds2

About 6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde

6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 170747425) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID170747425
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESCN1CCCC(c2ccc3cc(C=O)sc3n2)C1
InChIInChI=1S/C14H16N2OS/c1-16-6-2-3-11(8-16)13-5-4-10-7-12(9-17)18-14(10)15-13/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyAMHGPSDKZBQKMM-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

formamide;2-methyl-6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine
CID 177202390
6-piperidin-4-ylthieno[2,3-b]pyridine-2-carbaldehyde
CID 170747715
6-(1-methylpiperidin-3-yl)pyrimidine-4-carbaldehyde
CID 116857816
5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867320
4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 131297673
[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902705
6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
CID 117105593
5-chloro-3-(1-methylpiperidin-3-yl)pyridazine
CID 117105599
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
CID 116900754
2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750462
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
2-methyl-1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-2-amine
CID 116898054

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde (CID 170747425) is 6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde is CN1CCCC(c2ccc3cc(C=O)sc3n2)C1.
What is the InChIKey of 6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is AMHGPSDKZBQKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-16-6-2-3-11(8-16)13-5-4-10-7-12(9-17)18-14(10)15-13/h4-5,7,9,11H,2-3,6,8H2,1H3.
What are the key properties of 6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 260.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 170747425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).