1-(oxetan-3-yl)piperidin-4-amine dihydrochloride

• ChemBase ID: 248868
• Molecular Formular: C8H18Cl2N2O
• Molecular Mass: 229.14732
• Monoisotopic Mass: 228.07961857
• SMILES: N1(C2COC2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)C1COC1.Cl.Cl
• InChI: InChI=1S/C8H16N2O.2ClH/c9-7-1-3-10(4-2-7)8-5-11-6-8;;/h7-8H,1-6,9H2;2*1H
• InChIKey: CCDQQELWWDIHMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxetan-3-yl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(oxetan-3-yl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(oxetan-3-yl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD21607323
• PubChem SID: 164304778
• PubChem CID: 71741918

CALCULATED PROPERTIES

• LogD (pH = 5.5): -4.873021
• LogD (pH = 7.4): -3.5209186
• Log P: -0.75738615
• Molar Refractivity: 44.1146 cm^3
• Polarizability: 17.75141 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.116

Product Information

• Purity: 95%