1-(4-tert-butylphenyl)piperidin-4-amine

• ChemBase ID: 262970
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N1(c2ccc(C(C)(C)C)cc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)c1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C15H24N2/c1-15(2,3)12-4-6-14(7-5-12)17-10-8-13(16)9-11-17/h4-7,13H,8-11,16H2,1-3H3
• InChIKey: DORRRYRMXKSEGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-tert-butylphenyl)piperidin-4-amine
• IUPAC Traditional name: 1-(4-tert-butylphenyl)piperidin-4-amine
• Synonyms: 1-(4-tert-butylphenyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD09948321
• PubChem SID: 164318880
• PubChem CID: 24708681

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.25149605
• LogD (pH = 7.4): 0.35128814
• Log P: 2.8375237
• Molar Refractivity: 74.5343 cm^3
• Polarizability: 28.807983 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80 - 82°C
• Hydrophobicity(logP): 2.819

Product Information

• Purity: 95%