1-[4-(3-methoxyphenyl)phenyl]-N-(1-methoxypropan-2-yl)piperidin-4-amine

• ChemBase ID: 787716
• Molecular Formular: C22H30N2O2
• Molecular Mass: 354.4858
• Monoisotopic Mass: 354.23072821
• SMILES: N1(c2ccc(c3cc(OC)ccc3)cc2)CCC(NC(COC)C)CC1
• Canonical SMILES: COCC(NC1CCN(CC1)c1ccc(cc1)c1cccc(c1)OC)C
• InChI: InChI=1S/C22H30N2O2/c1-17(16-25-2)23-20-11-13-24(14-12-20)21-9-7-18(8-10-21)19-5-4-6-22(15-19)26-3/h4-10,15,17,20,23H,11-14,16H2,1-3H3
• InChIKey: IHWVLRSAAYECFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(3-methoxyphenyl)phenyl]-N-(1-methoxypropan-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-[4-(3-methoxyphenyl)phenyl]-N-(1-methoxypropan-2-yl)piperidin-4-amine
• Synonyms: 1-(3'-methoxy-4-biphenylyl)-N-(2-methoxy-1-methylethyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3690177
• LogD (pH = 7.4): 1.2214853
• Log P: 3.5842016
• Molar Refractivity: 107.7047 cm^3
• Polarizability: 43.054306 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.95
• LOG S: -4.15
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 7