3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde

C14H21NO2S — CID 13438347

IUPAC3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde
SMILESCC1(C)CC(O)(c2ccsc2C=O)CC(C)(C)N1
InChIInChI=1S/C14H21NO2S/c1-12(2)8-14(17,9-13(3,4)15-12)10-5-6-18-11(10)7-16/h5-7,15,17H,8-9H2,1-4H3
InChIKeyMZLQWZHLWHJYRP-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.69
Rot. Bonds2

About 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde

3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde (PubChem CID 13438347) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde
PubChem CID13438347
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde
SMILESCC1(C)CC(O)(c2ccsc2C=O)CC(C)(C)N1
InChIInChI=1S/C14H21NO2S/c1-12(2)8-14(17,9-13(3,4)15-12)10-5-6-18-11(10)7-16/h5-7,15,17H,8-9H2,1-4H3
InChIKeyMZLQWZHLWHJYRP-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
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 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde?
The IUPAC name of 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde (CID 13438347) is 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde is CC1(C)CC(O)(c2ccsc2C=O)CC(C)(C)N1.
What is the InChIKey of 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde?
The InChIKey is MZLQWZHLWHJYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12(2)8-14(17,9-13(3,4)15-12)10-5-6-18-11(10)7-16/h5-7,15,17H,8-9H2,1-4H3.
What are the key properties of 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde?
3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde has a molecular weight of 267.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 13438347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).