5-piperidin-1-ylthiophene-2-carbaldehyde

C10H13NOS — CID 2113341

IUPAC5-piperidin-1-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCCCC2)s1
InChIInChI=1S/C10H13NOS/c12-8-9-4-5-10(13-9)11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2
InChIKeySFDXRMCPPLZJBG-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.55
Rot. Bonds2

About 5-piperidin-1-ylthiophene-2-carbaldehyde

5-piperidin-1-ylthiophene-2-carbaldehyde (PubChem CID 2113341) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-piperidin-1-ylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-piperidin-1-ylthiophene-2-carbaldehyde
PubChem CID2113341
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name5-piperidin-1-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCCCC2)s1
InChIInChI=1S/C10H13NOS/c12-8-9-4-5-10(13-9)11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2
InChIKeySFDXRMCPPLZJBG-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylthiophene-2-carbaldehyde?
The IUPAC name of 5-piperidin-1-ylthiophene-2-carbaldehyde (CID 2113341) is 5-piperidin-1-ylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-piperidin-1-ylthiophene-2-carbaldehyde?
The canonical SMILES for 5-piperidin-1-ylthiophene-2-carbaldehyde is O=Cc1ccc(N2CCCCC2)s1.
What is the InChIKey of 5-piperidin-1-ylthiophene-2-carbaldehyde?
The InChIKey is SFDXRMCPPLZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-8-9-4-5-10(13-9)11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2.
What are the key properties of 5-piperidin-1-ylthiophene-2-carbaldehyde?
5-piperidin-1-ylthiophene-2-carbaldehyde has a molecular weight of 195.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylthiophene-2-carbaldehyde is sourced from PubChem (CID 2113341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).