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

• ChemBase ID: 308255
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: N1(Cc2occc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C10H16N2O/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10/h1-2,7,9H,3-6,8,11H2
• InChIKey: HLOJZOPKEIBEMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(furan-2-ylmethyl)piperidin-4-amine
• Synonyms: 1-(2-furylmethyl)-4-piperidinamine

Database IDs

• CAS Number: 185110-14-9
• MDL Number: MFCD09941496

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7275863
• LogD (pH = 7.4): -2.8198328
• Log P: 0.18606703
• Molar Refractivity: 52.3734 cm^3
• Polarizability: 20.561651 Å^3
• Polar Surface Area: 42.4 Å^2