N-(2-amino-2-phenylethyl)-N,1-dimethylpiperidin-4-amine

• ChemBase ID: 266086
• Molecular Formular: C15H25N3
• Molecular Mass: 247.3791
• Monoisotopic Mass: 247.20484782
• SMILES: N(CC(c1ccccc1)N)(C1CCN(CC1)C)C
• Canonical SMILES: NC(c1ccccc1)CN(C1CCN(CC1)C)C
• InChI: InChI=1S/C15H25N3/c1-17-10-8-14(9-11-17)18(2)12-15(16)13-6-4-3-5-7-13/h3-7,14-15H,8-12,16H2,1-2H3
• InChIKey: SSBICFQKMDXFBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-2-phenylethyl)-N,1-dimethylpiperidin-4-amine
• IUPAC Traditional name: N-(2-amino-2-phenylethyl)-N,1-dimethylpiperidin-4-amine
• Synonyms: N-(2-amino-2-phenylethyl)-N,1-dimethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD09735398
• PubChem SID: 164321996
• PubChem CID: 16788629

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.9082437
• LogD (pH = 7.4): -2.1494846
• Log P: 1.204232
• Molar Refractivity: 77.6718 cm^3
• Polarizability: 30.81045 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.223

Product Information

• Purity: 95%