2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid

C13H18N2O3 — CID 86575516

IUPAC2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCN2CCCCC2)cc1O
InChIInChI=1S/C13H18N2O3/c16-12-8-10(4-5-11(12)13(17)18)14-9-15-6-2-1-3-7-15/h4-5,8,14,16H,1-3,6-7,9H2,(H,17,18)
InChIKeyKMJZBVZPGCAIEK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.95
Rot. Bonds4

About 2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid

2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid (PubChem CID 86575516) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid
PubChem CID86575516
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NCN2CCCCC2)cc1O
InChIInChI=1S/C13H18N2O3/c16-12-8-10(4-5-11(12)13(17)18)14-9-15-6-2-1-3-7-15/h4-5,8,14,16H,1-3,6-7,9H2,(H,17,18)
InChIKeyKMJZBVZPGCAIEK-UHFFFAOYSA-N
XLogP1.95
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 62838704
2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 61189115
4-(3-chloropropylamino)-2-hydroxybenzoic acid
CID 71775574
2-methyl-4-(2-pyrrolidin-1-ylethylamino)benzoic acid
CID 81282265
4-(dodecylamino)-2-hydroxybenzoic acid
CID 150878020
2-hydroxy-4-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624610
4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid
CID 68720617
4-(2,2-dimethylbutanoylamino)-2-hydroxybenzoic acid
CID 55102860
4-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-2-hydroxybenzoic acid
CID 62061522
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 61207094

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid (CID 86575516) is 2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid is O=C(O)c1ccc(NCN2CCCCC2)cc1O.
What is the InChIKey of 2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid?
The InChIKey is KMJZBVZPGCAIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12-8-10(4-5-11(12)13(17)18)14-9-15-6-2-1-3-7-15/h4-5,8,14,16H,1-3,6-7,9H2,(H,17,18).
What are the key properties of 2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid?
2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid is sourced from PubChem (CID 86575516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).