[1-(2-aminoethyl)piperidin-3-yl]methanol

• ChemBase ID: 307072
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CC(CO)CCC1)CCN
• Canonical SMILES: NCCN1CCCC(C1)CO
• InChI: InChI=1S/C8H18N2O/c9-3-5-10-4-1-2-8(6-10)7-11/h8,11H,1-7,9H2
• InChIKey: QFUPBMCLHKJMPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-aminoethyl)piperidin-3-yl]methanol
• IUPAC Traditional name: [1-(2-aminoethyl)piperidin-3-yl]methanol
• Synonyms: [1-(2-aminoethyl)piperidin-3-yl]methanol

Database IDs

• CAS Number: 857637-03-7
• MDL Number: MFCD09055288

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.370963
• LogD (pH = 7.4): -3.0995593
• Log P: -0.78659725
• Molar Refractivity: 46.3814 cm^3
• Polarizability: 18.407972 Å^3
• Polar Surface Area: 49.49 Å^2