3-[(1-benzylpiperidin-4-yl)(methyl)amino]propan-1-ol

• ChemBase ID: 274786
• Molecular Formular: C16H26N2O
• Molecular Mass: 262.39044
• Monoisotopic Mass: 262.20451346
• SMILES: N1(CCC(CC1)N(CCCO)C)Cc1ccccc1
• Canonical SMILES: OCCCN(C1CCN(CC1)Cc1ccccc1)C
• InChI: InChI=1S/C16H26N2O/c1-17(10-5-13-19)16-8-11-18(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16,19H,5,8-14H2,1H3
• InChIKey: GWZXADJLASFFLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-benzylpiperidin-4-yl)(methyl)amino]propan-1-ol
• IUPAC Traditional name: 3-[(1-benzylpiperidin-4-yl)(methyl)amino]propan-1-ol
• Synonyms: 3-[(1-benzylpiperidin-4-yl)(methyl)amino]propan-1-ol

Database IDs

• MDL Number: MFCD18838977
• PubChem SID: 164330696
• PubChem CID: 22712052

CALCULATED PROPERTIES

• Acid pKa: 15.933375
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8271863
• LogD (pH = 7.4): -1.5256574
• Log P: 1.3113065
• Molar Refractivity: 81.2095 cm^3
• Polarizability: 31.714336 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.737

Product Information

• Purity: 95%