5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde

C12H17NO2S — CID 106836357

IUPAC5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
SMILESCC(O)C1CCN(c2ccc(C=O)s2)CC1
InChIInChI=1S/C12H17NO2S/c1-9(15)10-4-6-13(7-5-10)12-3-2-11(8-14)16-12/h2-3,8-10,15H,4-7H2,1H3
InChIKeyHXDXJUWKZRUAIR-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.16
Rot. Bonds3

About 5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde

5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde (PubChem CID 106836357) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
PubChem CID106836357
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
SMILESCC(O)C1CCN(c2ccc(C=O)s2)CC1
InChIInChI=1S/C12H17NO2S/c1-9(15)10-4-6-13(7-5-10)12-3-2-11(8-14)16-12/h2-3,8-10,15H,4-7H2,1H3
InChIKeyHXDXJUWKZRUAIR-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.16
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-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde (CID 106836357) is 5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde is CC(O)C1CCN(c2ccc(C=O)s2)CC1.
What is the InChIKey of 5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde?
The InChIKey is HXDXJUWKZRUAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(15)10-4-6-13(7-5-10)12-3-2-11(8-14)16-12/h2-3,8-10,15H,4-7H2,1H3.
What are the key properties of 5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde?
5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde has a molecular weight of 239.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 106836357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).