2,4-dihydroxy-5-piperidin-2-ylbenzoic acid

C12H15NO4 — CID 117346375

IUPAC2,4-dihydroxy-5-piperidin-2-ylbenzoic acid
SMILESO=C(O)c1cc(C2CCCCN2)c(O)cc1O
InChIInChI=1S/C12H15NO4/c14-10-6-11(15)8(12(16)17)5-7(10)9-3-1-2-4-13-9/h5-6,9,13-15H,1-4H2,(H,16,17)
InChIKeyJSDPWPIRJNLUKF-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.61
Rot. Bonds2

About 2,4-dihydroxy-5-piperidin-2-ylbenzoic acid

2,4-dihydroxy-5-piperidin-2-ylbenzoic acid (PubChem CID 117346375) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,4-dihydroxy-5-piperidin-2-ylbenzoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-5-piperidin-2-ylbenzoic acid
PubChem CID117346375
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,4-dihydroxy-5-piperidin-2-ylbenzoic acid
SMILESO=C(O)c1cc(C2CCCCN2)c(O)cc1O
InChIInChI=1S/C12H15NO4/c14-10-6-11(15)8(12(16)17)5-7(10)9-3-1-2-4-13-9/h5-6,9,13-15H,1-4H2,(H,16,17)
InChIKeyJSDPWPIRJNLUKF-UHFFFAOYSA-N
XLogP1.61
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-4-piperidin-2-ylbenzoic acid
CID 117354547
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341
5-(5-carboxy-2,4-dihydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421187
2-(azepan-2-yl)-5-methoxybenzoic acid
CID 12784739
4-bromo-2-piperidin-2-ylphenol
CID 82623427
4-fluoro-2-pyrrolidin-2-ylbenzoic acid
CID 66690944
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid
CID 64564014
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
4-[(2S)-piperidin-2-yl]thiophen-3-ol
CID 130699846
3-pyrrolidin-2-ylpyridine-4-carboxylic acid
CID 55295568

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5-piperidin-2-ylbenzoic acid?
The IUPAC name of 2,4-dihydroxy-5-piperidin-2-ylbenzoic acid (CID 117346375) is 2,4-dihydroxy-5-piperidin-2-ylbenzoic acid.
What is the SMILES notation for 2,4-dihydroxy-5-piperidin-2-ylbenzoic acid?
The canonical SMILES for 2,4-dihydroxy-5-piperidin-2-ylbenzoic acid is O=C(O)c1cc(C2CCCCN2)c(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-5-piperidin-2-ylbenzoic acid?
The InChIKey is JSDPWPIRJNLUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-10-6-11(15)8(12(16)17)5-7(10)9-3-1-2-4-13-9/h5-6,9,13-15H,1-4H2,(H,16,17).
What are the key properties of 2,4-dihydroxy-5-piperidin-2-ylbenzoic acid?
2,4-dihydroxy-5-piperidin-2-ylbenzoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5-piperidin-2-ylbenzoic acid is sourced from PubChem (CID 117346375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).