(1-benzyl-4-ethylpiperidin-4-yl)methanamine

• ChemBase ID: 243181
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N1(Cc2ccccc2)CCC(CC1)(CN)CC
• Canonical SMILES: CCC1(CN)CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C15H24N2/c1-2-15(13-16)8-10-17(11-9-15)12-14-6-4-3-5-7-14/h3-7H,2,8-13,16H2,1H3
• InChIKey: KOQROPHOWGHQBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzyl-4-ethylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-benzyl-4-ethylpiperidin-4-yl)methanamine
• Synonyms: (1-benzyl-4-ethylpiperidin-4-yl)methanamine

Database IDs

• MDL Number: MFCD22578612
• PubChem SID: 164299091
• PubChem CID: 71757190

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.011576
• LogD (pH = 7.4): -2.1741586
• Log P: 2.4089906
• Molar Refractivity: 73.7996 cm^3
• Polarizability: 29.294325 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.849

Product Information

• Purity: 95%