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

• ChemBase ID: 47967
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: N1(CC2CCNCC2)CCC(CC1)O.Cl.Cl
• Canonical SMILES: OC1CCN(CC1)CC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c14-11-3-7-13(8-4-11)9-10-1-5-12-6-2-10;;/h10-12,14H,1-9H2;2*1H
• InChIKey: JWDWCZBCMJWYFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-ylmethyl)piperidin-4-ol dihydrochloride
• IUPAC Traditional name: 1-(piperidin-4-ylmethyl)piperidin-4-ol dihydrochloride
• Synonyms: 1-(4-Piperidinylmethyl)-4-piperidinol dihydrochloride

Database IDs

• MDL Number: MFCD13561524
• PubChem SID: 162052730
• PubChem CID: 56831569

CALCULATED PROPERTIES

• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.179299
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.0669093
• LogD (pH = 7.4): -5.6081944
• Log P: -0.387412
• Molar Refractivity: 58.6868 cm^3
• Polarizability: 23.206133 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false