4-[2-amino-1-(piperidin-1-yl)ethyl]-N,N-dimethylaniline

• ChemBase ID: 122656
• Molecular Formular: C15H25N3
• Molecular Mass: 247.3791
• Monoisotopic Mass: 247.20484782
• SMILES: N1(C(c2ccc(N(C)C)cc2)CN)CCCCC1
• Canonical SMILES: NCC(c1ccc(cc1)N(C)C)N1CCCCC1
• InChI: InChI=1S/C15H25N3/c1-17(2)14-8-6-13(7-9-14)15(12-16)18-10-4-3-5-11-18/h6-9,15H,3-5,10-12,16H2,1-2H3
• InChIKey: JRZFNDSCZVTJGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-amino-1-(piperidin-1-yl)ethyl]-N,N-dimethylaniline
• IUPAC Traditional name: 4-[2-amino-1-(piperidin-1-yl)ethyl]-N,N-dimethylaniline
• Synonyms: 4-(2-amino-1-(piperidin-1-yl)ethyl)-N,N-dimethylaniline

Database IDs

• PubChem SID: 162217009
• PubChem CID: 16642839

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.339056
• LogD (pH = 7.4): -0.02553695
• Log P: 2.135836
• Molar Refractivity: 78.7913 cm^3
• Polarizability: 30.405457 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true