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

• ChemBase ID: 257510
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(CC2OCCC2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC1CCCO1
• InChI: InChI=1S/C10H20N2O/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10/h9-10H,1-8,11H2
• InChIKey: RQYQSHZQUNROJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolan-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(oxolan-2-ylmethyl)piperidin-4-amine
• Synonyms: 1-(tetrahydrofuran-2-ylmethyl)piperidin-4-amine; 1-(tetrahydro-2-furanylmethyl)-4-piperidinamine

Database IDs

• CAS Number: 108282-26-4
• MDL Number: MFCD09047072
• PubChem SID: 164313420
• PubChem CID: 16774673

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.7131605
• LogD (pH = 7.4): -3.6344266
• Log P: -0.18006371
• Molar Refractivity: 53.6246 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.336

Product Information

• Purity: 95%