5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde

C12H17NO2S — CID 107227802

IUPAC5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCCC(CCO)C2)s1
InChIInChI=1S/C12H17NO2S/c14-7-5-10-2-1-6-13(8-10)12-4-3-11(9-15)16-12/h3-4,9-10,14H,1-2,5-8H2
InChIKeyWHVDTXOGHYTLDZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.16
Rot. Bonds4

About 5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde

5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde (PubChem CID 107227802) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
PubChem CID107227802
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCCC(CCO)C2)s1
InChIInChI=1S/C12H17NO2S/c14-7-5-10-2-1-6-13(8-10)12-4-3-11(9-15)16-12/h3-4,9-10,14H,1-2,5-8H2
InChIKeyWHVDTXOGHYTLDZ-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
CID 114054274
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
2-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228184
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 114798182
2-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanol
CID 65274887
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
CID 62358143
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
1-(5-formylthiophen-2-yl)azetidine-3-carboxamide
CID 131071616
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
2-[1-[5-(propylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228095
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde (CID 107227802) is 5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde is O=Cc1ccc(N2CCCC(CCO)C2)s1.
What is the InChIKey of 5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde?
The InChIKey is WHVDTXOGHYTLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-7-5-10-2-1-6-13(8-10)12-4-3-11(9-15)16-12/h3-4,9-10,14H,1-2,5-8H2.
What are the key properties of 5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde?
5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde has a molecular weight of 239.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 107227802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).