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

• ChemBase ID: 34029
• Molecular Formular: C10H22Cl2N2O
• Molecular Mass: 257.20048
• Monoisotopic Mass: 256.11091869
• SMILES: N1(CC2OCCC2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CC1CCCO1.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10;;/h9-10H,1-8,11H2;2*1H
• InChIKey: MNYUKUOWLFXDJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12026973
• PubChem SID: 160997336
• PubChem CID: 44120459

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false