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

• ChemBase ID: 144034
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C1CNCCC1N1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)C1CCNCC1
• InChI: InChI=1S/C10H20N2O/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9/h9-11,13H,1-8H2
• InChIKey: LPCZFCQMWDLPAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(piperidin-4-yl)piperidin-4-ol
• Synonyms: 1,4′-Bipiperidin-4-ol; 1,4'-bipiperidin-4-ol

Database IDs

• CAS Number: 550370-19-9
• MDL Number: MFCD05864535
• PubChem SID: 162238251
• PubChem CID: 22061342

CALCULATED PROPERTIES

• Acid pKa: 15.179267
• H Acceptors: 3
• 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

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H20N2O

DETAILS

Sigma Aldrich - CBR00358

Other Notes
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Legal Information
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