1-(piperidin-4-yl)piperidin-4-ol dihydrochloride

• ChemBase ID: 48021
• Molecular Formular: C10H22Cl2N2O
• Molecular Mass: 257.20048
• Monoisotopic Mass: 256.11091869
• SMILES: N1(CCC(CC1)O)C1CCNCC1.Cl.Cl
• Canonical SMILES: OC1CCN(CC1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9;;/h9-11,13H,1-8H2;2*1H
• InChIKey: KZMKQKBRLLWNIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)piperidin-4-ol dihydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)piperidin-4-ol dihydrochloride
• Synonyms: 1-(4-Piperidinyl)-4-piperidinol dihydrochloride

Database IDs

• MDL Number: MFCD07781142
• PubChem SID: 162052784
• PubChem CID: 22397506

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -6.3973665
• LogD (pH = 7.4): -4.2089276
• Log P: -0.84801275
• Molar Refractivity: 53.8688 cm^3
• Polarizability: 21.362965 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 15.179267
• H Acceptors: 3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false