1-(furan-2-carbonyl)piperidin-4-amine

• ChemBase ID: 28447
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(N1CCC(CC1)N)c1occc1
• Canonical SMILES: NC1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C10H14N2O2/c11-8-3-5-12(6-4-8)10(13)9-2-1-7-14-9/h1-2,7-8H,3-6,11H2
• InChIKey: YEHVHAZOHWSZJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-carbonyl)piperidin-4-amine
• IUPAC Traditional name: 1-(furan-2-carbonyl)piperidin-4-amine
• Synonyms: 1-(2-Furoyl)piperidin-4-amine; 1-(2-furoyl)-4-piperidinamine

Database IDs

• CAS Number: 886497-79-6
• MDL Number: MFCD06740655
• PubChem SID: 160991754
• PubChem CID: 4778220

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4751637
• LogD (pH = 7.4): -2.9062216
• Log P: -0.45733732
• Molar Refractivity: 52.7025 cm^3
• Polarizability: 20.059414 Å^3
• Polar Surface Area: 59.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.011

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%