2-bromo-6-(piperidin-1-ylamino)benzoic acid

C12H15BrN2O2 — CID 114888401

IUPAC2-bromo-6-(piperidin-1-ylamino)benzoic acid
SMILESO=C(O)c1c(Br)cccc1NN1CCCCC1
InChIInChI=1S/C12H15BrN2O2/c13-9-5-4-6-10(11(9)12(16)17)14-15-7-2-1-3-8-15/h4-6,14H,1-3,7-8H2,(H,16,17)
InChIKeyPYCWNJZOODFISV-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.96
Rot. Bonds3

About 2-bromo-6-(piperidin-1-ylamino)benzoic acid

2-bromo-6-(piperidin-1-ylamino)benzoic acid (PubChem CID 114888401) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-bromo-6-(piperidin-1-ylamino)benzoic acid.

Molecular Properties

Compound Name2-bromo-6-(piperidin-1-ylamino)benzoic acid
PubChem CID114888401
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-bromo-6-(piperidin-1-ylamino)benzoic acid
SMILESO=C(O)c1c(Br)cccc1NN1CCCCC1
InChIInChI=1S/C12H15BrN2O2/c13-9-5-4-6-10(11(9)12(16)17)14-15-7-2-1-3-8-15/h4-6,14H,1-3,7-8H2,(H,16,17)
InChIKeyPYCWNJZOODFISV-UHFFFAOYSA-N
XLogP2.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-(methylamino)benzoic acid
CID 114887837
2-bromo-6-(1-piperidin-1-ylpropan-2-ylamino)benzoic acid
CID 114888005
2-bromo-6-[(2-methoxy-2-methylpropyl)amino]benzoic acid
CID 114888421
2-bromo-6-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoic acid
CID 114888374
2-bromo-6-[(4-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 114888447
2-bromo-6-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
CID 114159520
2-bromo-6-[[2-(dimethylamino)-2-methylpropyl]amino]benzoic acid
CID 114888004
2-bromo-6-[(3,5-dimethylcyclohexyl)amino]benzoic acid
CID 114888288
2-bromo-6-[(2-methyloxolan-2-yl)methylamino]benzoic acid
CID 114888341
2-bromo-6-(2-thiomorpholin-4-ylethylamino)benzoic acid
CID 106327266
N-(2-chlorophenyl)piperidin-1-amine
CID 66875878
2-bromo-6-(2-methylprop-2-enylamino)benzoic acid
CID 114888497

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(piperidin-1-ylamino)benzoic acid?
The IUPAC name of 2-bromo-6-(piperidin-1-ylamino)benzoic acid (CID 114888401) is 2-bromo-6-(piperidin-1-ylamino)benzoic acid.
What is the SMILES notation for 2-bromo-6-(piperidin-1-ylamino)benzoic acid?
The canonical SMILES for 2-bromo-6-(piperidin-1-ylamino)benzoic acid is O=C(O)c1c(Br)cccc1NN1CCCCC1.
What is the InChIKey of 2-bromo-6-(piperidin-1-ylamino)benzoic acid?
The InChIKey is PYCWNJZOODFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-9-5-4-6-10(11(9)12(16)17)14-15-7-2-1-3-8-15/h4-6,14H,1-3,7-8H2,(H,16,17).
What are the key properties of 2-bromo-6-(piperidin-1-ylamino)benzoic acid?
2-bromo-6-(piperidin-1-ylamino)benzoic acid has a molecular weight of 299.17 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(piperidin-1-ylamino)benzoic acid is sourced from PubChem (CID 114888401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).