1-(2-aminoethyl)piperidin-3-ol

• ChemBase ID: 307075
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(CC(O)CCC1)CCN
• Canonical SMILES: NCCN1CCCC(C1)O
• InChI: InChI=1S/C7H16N2O/c8-3-5-9-4-1-2-7(10)6-9/h7,10H,1-6,8H2
• InChIKey: BJPWBQHXJAUDQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethyl)piperidin-3-ol
• IUPAC Traditional name: 1-(2-aminoethyl)piperidin-3-ol
• Synonyms: 1-(2-aminoethyl)piperidin-3-ol

Database IDs

• CAS Number: 847499-95-0
• MDL Number: MFCD06408769

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -5.234371
• LogD (pH = 7.4): -3.030938
• Log P: -0.8313518
• Molar Refractivity: 41.4414 cm^3
• Polarizability: 16.56564 Å^3
• Polar Surface Area: 49.49 Å^2
• H Acceptors: 3