1-benzyl-N-(pentan-3-yl)piperidin-4-amine

• ChemBase ID: 311313
• Molecular Formular: C17H28N2
• Molecular Mass: 260.41762
• Monoisotopic Mass: 260.22524891
• SMILES: N1(Cc2ccccc2)CCC(NC(CC)CC)CC1
• Canonical SMILES: CCC(NC1CCN(CC1)Cc1ccccc1)CC
• InChI: InChI=1S/C17H28N2/c1-3-16(4-2)18-17-10-12-19(13-11-17)14-15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3
• InChIKey: IILFGFGHMFLZQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-(pentan-3-yl)piperidin-4-amine
• IUPAC Traditional name: 1-benzyl-N-(pentan-3-yl)piperidin-4-amine
• Synonyms: 1-benzyl-N-(1-ethylpropyl)piperidin-4-amine

Database IDs

• CAS Number: 423738-91-4
• MDL Number: MFCD02211968

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6916591
• LogD (pH = 7.4): 0.010652115
• Log P: 3.3768284
• Molar Refractivity: 82.9725 cm^3
• Polarizability: 32.988346 Å^3
• Polar Surface Area: 15.27 Å^2