1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde

C17H22N2O2 — CID 3159806

IUPAC1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CC(O)CN2CCCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O2/c20-13-14-10-19(17-7-3-2-6-16(14)17)12-15(21)11-18-8-4-1-5-9-18/h2-3,6-7,10,13,15,21H,1,4-5,8-9,11-12H2
InChIKeySJDBPDLGPTYOHG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.30
Rot. Bonds5

About 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde

1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde (PubChem CID 3159806) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde
PubChem CID3159806
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CC(O)CN2CCCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O2/c20-13-14-10-19(17-7-3-2-6-16(14)17)12-15(21)11-18-8-4-1-5-9-18/h2-3,6-7,10,13,15,21H,1,4-5,8-9,11-12H2
InChIKeySJDBPDLGPTYOHG-UHFFFAOYSA-N
XLogP2.30
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.30
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 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde?
The IUPAC name of 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde (CID 3159806) is 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde?
The canonical SMILES for 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde is O=Cc1cn(CC(O)CN2CCCCC2)c2ccccc12.
What is the InChIKey of 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde?
The InChIKey is SJDBPDLGPTYOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-13-14-10-19(17-7-3-2-6-16(14)17)12-15(21)11-18-8-4-1-5-9-18/h2-3,6-7,10,13,15,21H,1,4-5,8-9,11-12H2.
What are the key properties of 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde?
1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde has a molecular weight of 286.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carbaldehyde is sourced from PubChem (CID 3159806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).