2-(piperidin-1-ylmethyl)furan-3-carboxylic acid

C11H15NO3 — CID 2063890

IUPAC2-(piperidin-1-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CN1CCCCC1
InChIInChI=1S/C11H15NO3/c13-11(14)9-4-7-15-10(9)8-12-5-2-1-3-6-12/h4,7H,1-3,5-6,8H2,(H,13,14)
InChIKeySOCSDZWHAFKJTN-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.96
Rot. Bonds3

About 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid

2-(piperidin-1-ylmethyl)furan-3-carboxylic acid (PubChem CID 2063890) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)furan-3-carboxylic acid
PubChem CID2063890
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(piperidin-1-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CN1CCCCC1
InChIInChI=1S/C11H15NO3/c13-11(14)9-4-7-15-10(9)8-12-5-2-1-3-6-12/h4,7H,1-3,5-6,8H2,(H,13,14)
InChIKeySOCSDZWHAFKJTN-UHFFFAOYSA-N
XLogP1.96
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid (CID 2063890) is 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid is O=C(O)c1ccoc1CN1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid?
The InChIKey is SOCSDZWHAFKJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-11(14)9-4-7-15-10(9)8-12-5-2-1-3-6-12/h4,7H,1-3,5-6,8H2,(H,13,14).
What are the key properties of 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid?
2-(piperidin-1-ylmethyl)furan-3-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 2063890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).