2-[(piperidin-4-yl)amino]ethan-1-ol dihydrochloride

• ChemBase ID: 244456
• Molecular Formular: C7H18Cl2N2O
• Molecular Mass: 217.13662
• Monoisotopic Mass: 216.07961857
• SMILES: N1CCC(NCCO)CC1.Cl.Cl
• Canonical SMILES: OCCNC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C7H16N2O.2ClH/c10-6-5-9-7-1-3-8-4-2-7;;/h7-10H,1-6H2;2*1H
• InChIKey: VMGALVRHHOQQPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(piperidin-4-yl)amino]ethan-1-ol dihydrochloride
• IUPAC Traditional name: 2-(piperidin-4-ylamino)ethanol dihydrochloride
• Synonyms: 2-[(piperidin-4-yl)amino]ethan-1-ol dihydrochloride

Database IDs

• MDL Number: MFCD22628534
• PubChem SID: 164300366
• PubChem CID: 71757509

CALCULATED PROPERTIES

• Molar Refractivity: 41.1421 cm^3
• Polarizability: 16.56564 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.6017685
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -6.8924456
• LogD (pH = 7.4): -4.7651124
• Log P: -1.2392223

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C
• Hydrophobicity(logP): -1.379

Product Information

• Purity: 95%