4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid

C13H17NO4 — CID 117380991

IUPAC4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid
SMILESCOc1cc(C(=O)O)cc(C2CCCNC2)c1O
InChIInChI=1S/C13H17NO4/c1-18-11-6-9(13(16)17)5-10(12(11)15)8-3-2-4-14-7-8/h5-6,8,14-15H,2-4,7H2,1H3,(H,16,17)
InChIKeyQXDBRLKQSTUWAM-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.57
Rot. Bonds3

About 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid

4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid (PubChem CID 117380991) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid
PubChem CID117380991
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid
SMILESCOc1cc(C(=O)O)cc(C2CCCNC2)c1O
InChIInChI=1S/C13H17NO4/c1-18-11-6-9(13(16)17)5-10(12(11)15)8-3-2-4-14-7-8/h5-6,8,14-15H,2-4,7H2,1H3,(H,16,17)
InChIKeyQXDBRLKQSTUWAM-UHFFFAOYSA-N
XLogP1.57
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid?
The IUPAC name of 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid (CID 117380991) is 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid.
What is the SMILES notation for 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid?
The canonical SMILES for 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid is COc1cc(C(=O)O)cc(C2CCCNC2)c1O.
What is the InChIKey of 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid?
The InChIKey is QXDBRLKQSTUWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-18-11-6-9(13(16)17)5-10(12(11)15)8-3-2-4-14-7-8/h5-6,8,14-15H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid?
4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid is sourced from PubChem (CID 117380991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).