1-(furan-2-carbonyl)piperidin-3-amine

• ChemBase ID: 34036
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: N1(C(=O)c2occc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)C(=O)c1ccco1
• InChI: InChI=1S/C10H14N2O2/c11-8-3-1-5-12(7-8)10(13)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7,11H2
• InChIKey: ZWCSFKGMAJEDCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-carbonyl)piperidin-3-amine
• IUPAC Traditional name: 1-(furan-2-carbonyl)piperidin-3-amine
• Synonyms: 1-(2-Furoyl)piperidin-3-amine; 1-(2-furoyl)-3-piperidinamine

Database IDs

• CAS Number: 1082766-25-3
• MDL Number: MFCD11505301
• PubChem SID: 160997343
• PubChem CID: 25219400

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9793344
• LogD (pH = 7.4): -1.9777058
• Log P: 6.561367E-5
• Molar Refractivity: 52.4817 cm^3
• Polarizability: 20.059406 Å^3
• Polar Surface Area: 59.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false