N-phenyl-1-(pyridin-4-yl)piperidin-4-amine

• ChemBase ID: 271136
• Molecular Formular: C16H19N3
• Molecular Mass: 253.34216
• Monoisotopic Mass: 253.15789762
• SMILES: N1(c2ccncc2)CCC(Nc2ccccc2)CC1
• Canonical SMILES: c1ccc(cc1)NC1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C16H19N3/c1-2-4-14(5-3-1)18-15-8-12-19(13-9-15)16-6-10-17-11-7-16/h1-7,10-11,15,18H,8-9,12-13H2
• InChIKey: SLDOUVWYXSDFHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-1-(pyridin-4-yl)piperidin-4-amine
• IUPAC Traditional name: N-phenyl-1-(pyridin-4-yl)piperidin-4-amine
• Synonyms: N-phenyl-1-(pyridin-4-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD12654583
• PubChem SID: 164327046
• PubChem CID: 43166963

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0509089
• LogD (pH = 7.4): 1.3040074
• Log P: 2.146278
• Molar Refractivity: 80.0445 cm^3
• Polarizability: 29.802675 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 2.35

Product Information

• Purity: 95%