2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid

C15H17NO4 — CID 62273423

IUPAC2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(CN2CCC(O)CC2)oc2ccccc12
InChIInChI=1S/C15H17NO4/c17-10-5-7-16(8-6-10)9-13-14(15(18)19)11-3-1-2-4-12(11)20-13/h1-4,10,17H,5-9H2,(H,18,19)
InChIKeyKMXRAEXTDRJTHY-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.09
Rot. Bonds3

About 2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid

2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid (PubChem CID 62273423) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
PubChem CID62273423
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(CN2CCC(O)CC2)oc2ccccc12
InChIInChI=1S/C15H17NO4/c17-10-5-7-16(8-6-10)9-13-14(15(18)19)11-3-1-2-4-12(11)20-13/h1-4,10,17H,5-9H2,(H,18,19)
InChIKeyKMXRAEXTDRJTHY-UHFFFAOYSA-N
XLogP2.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid (CID 62273423) is 2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid is O=C(O)c1c(CN2CCC(O)CC2)oc2ccccc12.
What is the InChIKey of 2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid?
The InChIKey is KMXRAEXTDRJTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-10-5-7-16(8-6-10)9-13-14(15(18)19)11-3-1-2-4-12(11)20-13/h1-4,10,17H,5-9H2,(H,18,19).
What are the key properties of 2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid?
2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 62273423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).