5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde

C10H13NO2S — CID 2763540

IUPAC5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCC(O)CC2)s1
InChIInChI=1S/C10H13NO2S/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11/h1-2,7-8,13H,3-6H2
InChIKeyQGNLQHONMNFZJP-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.52
Rot. Bonds2

About 5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde

5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde (PubChem CID 2763540) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde
PubChem CID2763540
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCC(O)CC2)s1
InChIInChI=1S/C10H13NO2S/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11/h1-2,7-8,13H,3-6H2
InChIKeyQGNLQHONMNFZJP-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde (CID 2763540) is 5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde is O=Cc1ccc(N2CCC(O)CC2)s1.
What is the InChIKey of 5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde?
The InChIKey is QGNLQHONMNFZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11/h1-2,7-8,13H,3-6H2.
What are the key properties of 5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde?
5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde has a molecular weight of 211.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 2763540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).