4-(2-hydroxyanilino)piperidine-1-carboxylic acid

C12H16N2O3 — CID 22293852

IUPAC4-(2-hydroxyanilino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccccc2O)CC1
InChIInChI=1S/C12H16N2O3/c15-11-4-2-1-3-10(11)13-9-5-7-14(8-6-9)12(16)17/h1-4,9,13,15H,5-8H2,(H,16,17)
InChIKeyUFFLPKNESNHBET-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.95
Rot. Bonds2

About 4-(2-hydroxyanilino)piperidine-1-carboxylic acid

4-(2-hydroxyanilino)piperidine-1-carboxylic acid (PubChem CID 22293852) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(2-hydroxyanilino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyanilino)piperidine-1-carboxylic acid
PubChem CID22293852
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(2-hydroxyanilino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccccc2O)CC1
InChIInChI=1S/C12H16N2O3/c15-11-4-2-1-3-10(11)13-9-5-7-14(8-6-9)12(16)17/h1-4,9,13,15H,5-8H2,(H,16,17)
InChIKeyUFFLPKNESNHBET-UHFFFAOYSA-N
XLogP1.95
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090
[4-(2-hydroxyanilino)piperidin-1-yl]-methylborinic acid
CID 20765939
4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393
4-(4-amino-2-fluoroanilino)piperidine-1-carboxylic acid
CID 69030718
4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid
CID 143481512
4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 71120257
4-(2-methylsulfanylanilino)piperidine-1-carboxamide
CID 43781018
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol
CID 70862184
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]phenol
CID 141034176
4-(4-cyanoanilino)piperidine-1-carboxylic acid
CID 69182626

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyanilino)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-hydroxyanilino)piperidine-1-carboxylic acid (CID 22293852) is 4-(2-hydroxyanilino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyanilino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyanilino)piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2ccccc2O)CC1.
What is the InChIKey of 4-(2-hydroxyanilino)piperidine-1-carboxylic acid?
The InChIKey is UFFLPKNESNHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-4-2-1-3-10(11)13-9-5-7-14(8-6-9)12(16)17/h1-4,9,13,15H,5-8H2,(H,16,17).
What are the key properties of 4-(2-hydroxyanilino)piperidine-1-carboxylic acid?
4-(2-hydroxyanilino)piperidine-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyanilino)piperidine-1-carboxylic acid is sourced from PubChem (CID 22293852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).