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

• ChemBase ID: 33884
• Molecular Formular: C10H18Cl2N2O
• Molecular Mass: 253.16872
• Monoisotopic Mass: 252.07961857
• SMILES: N1(Cc2occc2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)Cc1ccco1.Cl.Cl
• InChI: InChI=1S/C10H16N2O.2ClH/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10;;/h1-2,7,9H,3-6,8,11H2;2*1H
• InChIKey: OIGZWCHPWGOVIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12026959
• PubChem SID: 160997191
• PubChem CID: 46736931

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
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false