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

• ChemBase ID: 144352
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C1CC(CN(C1)C1CCNCC1)O
• Canonical SMILES: OC1CCCN(C1)C1CCNCC1
• InChI: InChI=1S/C10H20N2O/c13-10-2-1-7-12(8-10)9-3-5-11-6-4-9/h9-11,13H,1-8H2
• InChIKey: NNQUIJQEUBAMTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)piperidin-3-ol
• IUPAC Traditional name: 1-(piperidin-4-yl)piperidin-3-ol
• Synonyms: 1,4′-Bipiperidin-3-ol; 1,4'-bipiperidin-3-ol

Database IDs

• CAS Number: 864356-11-6
• MDL Number: MFCD05864536
• PubChem SID: 162238567
• PubChem CID: 21091574

CALCULATED PROPERTIES

• 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
• Acid pKa: 14.886116
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.1535444
• LogD (pH = 7.4): -3.9515326

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H20N2O

DETAILS

Sigma Aldrich - CBR01102

Analysis Note
may contain up to 0.5 eq water
Other Notes
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Legal Information
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