4-(2-aminoethyl)-1-methylpiperidin-4-ol

• ChemBase ID: 307608
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CCC(CC1)(CCN)O)C
• Canonical SMILES: NCCC1(O)CCN(CC1)C
• InChI: InChI=1S/C8H18N2O/c1-10-6-3-8(11,2-5-9)4-7-10/h11H,2-7,9H2,1H3
• InChIKey: DXBAGIYZNRUVOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminoethyl)-1-methylpiperidin-4-ol
• IUPAC Traditional name: 4-(2-aminoethyl)-1-methylpiperidin-4-ol
• Synonyms: 4-(2-aminoethyl)-1-methylpiperidin-4-ol

Database IDs

• CAS Number: 959237-87-7
• MDL Number: MFCD09864364

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.3898797
• LogD (pH = 7.4): -5.0232587
• Log P: -1.3050263
• Molar Refractivity: 46.4172 cm^3
• Polarizability: 18.407972 Å^3
• Polar Surface Area: 49.49 Å^2