(4-aminopiperidin-4-yl)methanol

• ChemBase ID: 274760
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C1(N)(CCNCC1)CO
• Canonical SMILES: OCC1(N)CCNCC1
• InChI: InChI=1S/C6H14N2O/c7-6(5-9)1-3-8-4-2-6/h8-9H,1-5,7H2
• InChIKey: ZURVCSIUFWCRBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminopiperidin-4-yl)methanol
• IUPAC Traditional name: (4-aminopiperidin-4-yl)methanol
• Synonyms: (4-aminopiperidin-4-yl)methanol

Database IDs

• MDL Number: MFCD14599520
• PubChem SID: 164330670
• PubChem CID: 21882557

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -7.1256776
• LogD (pH = 7.4): -5.0012712
• Log P: -1.748034
• Molar Refractivity: 36.2571 cm^3
• Polarizability: 14.724356 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.78046

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.693

Product Information

• Purity: 95%