N-benzyl-N-(2-phenylethyl)piperidin-4-amine

• ChemBase ID: 311754
• Molecular Formular: C20H26N2
• Molecular Mass: 294.43384
• Monoisotopic Mass: 294.20959884
• SMILES: N(Cc1ccccc1)(C1CCNCC1)CCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CCN(C1CCNCC1)Cc1ccccc1
• InChI: InChI=1S/C20H26N2/c1-3-7-18(8-4-1)13-16-22(20-11-14-21-15-12-20)17-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2
• InChIKey: XCFSNXPXHZDVEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-(2-phenylethyl)piperidin-4-amine
• IUPAC Traditional name: N-benzyl-N-(2-phenylethyl)piperidin-4-amine
• Synonyms: N-benzyl-N-(2-phenylethyl)piperidin-4-amine

Database IDs

• CAS Number: 879619-76-8
• MDL Number: MFCD05863706

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2924812
• LogD (pH = 7.4): -0.18628561
• Log P: 3.571535
• Molar Refractivity: 94.1247 cm^3
• Polarizability: 37.00946 Å^3
• Polar Surface Area: 15.27 Å^2