3-phenyl-1-(piperidin-1-yl)-3-[4-(propan-2-yloxy)phenyl]propan-1-one

• ChemBase ID: 190776
• Molecular Formular: C23H29NO2
• Molecular Mass: 351.48186
• Monoisotopic Mass: 351.21982917
• SMILES: C(=O)(CC(c1ccc(OC(C)C)cc1)c1ccccc1)N1CCCCC1
• Canonical SMILES: CC(Oc1ccc(cc1)C(c1ccccc1)CC(=O)N1CCCCC1)C
• InChI: InChI=1S/C23H29NO2/c1-18(2)26-21-13-11-20(12-14-21)22(19-9-5-3-6-10-19)17-23(25)24-15-7-4-8-16-24/h3,5-6,9-14,18,22H,4,7-8,15-17H2,1-2H3
• InChIKey: CMAIZDJRASESOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-1-(piperidin-1-yl)-3-[4-(propan-2-yloxy)phenyl]propan-1-one
• IUPAC Traditional name: 3-(4-isopropoxyphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one

Database IDs

• PubChem SID: 164246686
• PubChem CID: 2946524

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5828724
• LogD (pH = 7.4): 4.5828733
• Log P: 4.5828733
• Molar Refractivity: 105.9984 cm^3
• Polarizability: 41.356808 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds