1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid

C17H22N2O3 — CID 118726276

IUPAC1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid
SMILESO=C(O)c1cn(CC(O)CN2CCCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O3/c20-13(10-18-8-4-1-5-9-18)11-19-12-15(17(21)22)14-6-2-3-7-16(14)19/h2-3,6-7,12-13,20H,1,4-5,8-11H2,(H,21,22)
InChIKeyFJZAHNJWHBXOJX-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.19
Rot. Bonds5

About 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid

1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid (PubChem CID 118726276) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid
PubChem CID118726276
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid
SMILESO=C(O)c1cn(CC(O)CN2CCCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O3/c20-13(10-18-8-4-1-5-9-18)11-19-12-15(17(21)22)14-6-2-3-7-16(14)19/h2-3,6-7,12-13,20H,1,4-5,8-11H2,(H,21,22)
InChIKeyFJZAHNJWHBXOJX-UHFFFAOYSA-N
XLogP2.19
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid (CID 118726276) is 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid is O=C(O)c1cn(CC(O)CN2CCCCC2)c2ccccc12.
What is the InChIKey of 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid?
The InChIKey is FJZAHNJWHBXOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-13(10-18-8-4-1-5-9-18)11-19-12-15(17(21)22)14-6-2-3-7-16(14)19/h2-3,6-7,12-13,20H,1,4-5,8-11H2,(H,21,22).
What are the key properties of 1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid?
1-(2-hydroxy-3-piperidin-1-ylpropyl)indole-3-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 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-carboxylic acid is sourced from PubChem (CID 118726276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).