1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol dihydrochloride

• ChemBase ID: 269008
• Molecular Formular: C9H22Cl2N2O
• Molecular Mass: 245.18978
• Monoisotopic Mass: 244.11091869
• SMILES: N1(CC(O)(C)C)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CC(O)(C)C.Cl.Cl
• InChI: InChI=1S/C9H20N2O.2ClH/c1-9(2,12)7-11-5-3-8(10)4-6-11;;/h8,12H,3-7,10H2,1-2H3;2*1H
• InChIKey: DIMKFVPMBRQKBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol dihydrochloride
• IUPAC Traditional name: 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol dihydrochloride
• Synonyms: 1-(4-aminopiperidin-1-yl)-2-methylpropan-2-ol dihydrochloride

Database IDs

• MDL Number: MFCD22392243
• PubChem SID: 164324918
• PubChem CID: 71758734

CALCULATED PROPERTIES

• Acid pKa: 15.022755
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.5239244
• LogD (pH = 7.4): -4.483752
• Log P: -0.59160304
• Molar Refractivity: 50.7192 cm^3
• Polarizability: 20.25109 Å^3
• Polar Surface Area: 49.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): -0.473

Product Information

• Purity: 95%