[1-(piperidin-4-yl)piperidin-3-yl]methanol

• ChemBase ID: 310349
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: N1(CC(CO)CCC1)C1CCNCC1
• Canonical SMILES: OCC1CCCN(C1)C1CCNCC1
• InChI: InChI=1S/C11H22N2O/c14-9-10-2-1-7-13(8-10)11-3-5-12-6-4-11/h10-12,14H,1-9H2
• InChIKey: PEQIEMJCOKSLBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(piperidin-4-yl)piperidin-3-yl]methanol
• IUPAC Traditional name: [1-(piperidin-4-yl)piperidin-3-yl]methanol
• Synonyms: 1,4'-bipiperidin-3-ylmethanol

Database IDs

• CAS Number: 749860-71-7
• MDL Number: MFCD05864537

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.1497974
• LogD (pH = 7.4): -4.003704
• Log P: -0.34585527
• Molar Refractivity: 58.588 cm^3
• Polarizability: 23.206133 Å^3
• Polar Surface Area: 35.5 Å^2