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

• ChemBase ID: 34912
• Molecular Formular: C17H22N2O
• Molecular Mass: 270.36938
• Monoisotopic Mass: 270.17321333
• SMILES: N1(Cc2ccccc2)CCC(NCc2occc2)CC1
• Canonical SMILES: c1ccc(cc1)CN1CCC(CC1)NCc1ccco1
• InChI: InChI=1S/C17H22N2O/c1-2-5-15(6-3-1)14-19-10-8-16(9-11-19)18-13-17-7-4-12-20-17/h1-7,12,16,18H,8-11,13-14H2
• InChIKey: LUDPAPHRXZBKJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01653590
• PubChem SID: 160998219
• PubChem CID: 16787281

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1155488
• LogD (pH = 7.4): 0.3679689
• Log P: 2.3431206
• Molar Refractivity: 81.7606 cm^3
• Polarizability: 32.02228 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false