1-(furan-3-carbonyl)piperidin-4-amine

• ChemBase ID: 254149
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(c1cocc1)N1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C(=O)c1cocc1
• InChI: InChI=1S/C10H14N2O2/c11-9-1-4-12(5-2-9)10(13)8-3-6-14-7-8/h3,6-7,9H,1-2,4-5,11H2
• InChIKey: FFFQQRAYJATYKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-3-carbonyl)piperidin-4-amine
• IUPAC Traditional name: 1-(furan-3-carbonyl)piperidin-4-amine
• Synonyms: 1-(3-furoyl)piperidin-4-amine

Database IDs

• CAS Number: 926210-83-5
• MDL Number: MFCD09043806
• PubChem SID: 164310059
• PubChem CID: 16771508

CALCULATED PROPERTIES

• LogD (pH = 5.5): -3.395165
• LogD (pH = 7.4): -2.8262231
• Log P: -0.37733844
• Molar Refractivity: 52.825 cm^3
• Polarizability: 20.05606 Å^3
• Polar Surface Area: 59.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 56 - 58°C
• Hydrophobicity(logP): -1.011

Product Information

• Purity: 95%