1-(piperidin-3-yl)piperidin-4-ol dihydrochloride

• ChemBase ID: 47994
• Molecular Formular: C10H22Cl2N2O
• Molecular Mass: 257.20048
• Monoisotopic Mass: 256.11091869
• SMILES: N1(CCC(CC1)O)C1CNCCC1.Cl.Cl
• Canonical SMILES: OC1CCN(CC1)C1CCCNC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH/c13-10-3-6-12(7-4-10)9-2-1-5-11-8-9;;/h9-11,13H,1-8H2;2*1H
• InChIKey: XQAGIPUQMUSKEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-3-yl)piperidin-4-ol dihydrochloride
• IUPAC Traditional name: 1-(piperidin-3-yl)piperidin-4-ol dihydrochloride
• Synonyms: 1-(3-Piperidinyl)-4-piperidinol dihydrochloride

Database IDs

• MDL Number: MFCD13561551
• PubChem SID: 162052757
• PubChem CID: 53407963

CALCULATED PROPERTIES

• Acid pKa: 15.179258
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.9601536
• LogD (pH = 7.4): -2.9621656
• Log P: -0.39060983
• Molar Refractivity: 53.648 cm^3
• Polarizability: 21.362965 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false