4-hydroxypiperidine-1-carboxamide

• ChemBase ID: 267392
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: C(=O)(N1CCC(CC1)O)N
• Canonical SMILES: OC1CCN(CC1)C(=O)N
• InChI: InChI=1S/C6H12N2O2/c7-6(10)8-3-1-5(9)2-4-8/h5,9H,1-4H2,(H2,7,10)
• InChIKey: RUBROIIGKQNJPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxypiperidine-1-carboxamide
• IUPAC Traditional name: 4-hydroxypiperidine-1-carboxamide
• Synonyms: 4-hydroxypiperidine-1-carboxamide

Database IDs

• MDL Number: MFCD12179630
• PubChem SID: 164323302
• PubChem CID: 21474963

CALCULATED PROPERTIES

• Acid pKa: 15.10503
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5984222
• LogD (pH = 7.4): -1.5984222
• Log P: -1.5984222
• Molar Refractivity: 36.6603 cm^3
• Polarizability: 14.083651 Å^3
• Polar Surface Area: 66.56 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): -2.882

Product Information

• Purity: 95%