1-[(3-methoxyphenyl)methyl]-N-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperidin-3-amine

• ChemBase ID: 504188
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: N1(Cc2cc(OC)ccc2)CC(NC/C=C/c2ccc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc(cc1)/C=C/CNC1CCCN(C1)Cc1cccc(c1)OC
• InChI: InChI=1S/C23H30N2O2/c1-26-22-12-10-19(11-13-22)7-4-14-24-21-8-5-15-25(18-21)17-20-6-3-9-23(16-20)27-2/h3-4,6-7,9-13,16,21,24H,5,8,14-15,17-18H2,1-2H3/b7-4+
• InChIKey: GTWNZSOZNIKIHE-QPJJXVBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-methoxyphenyl)methyl]-N-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperidin-3-amine
• IUPAC Traditional name: 1-[(3-methoxyphenyl)methyl]-N-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperidin-3-amine
• Synonyms: 1-(3-methoxybenzyl)-N-[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.22682412
• LogD (pH = 7.4): 2.1434922
• Log P: 4.03485
• Molar Refractivity: 112.3939 cm^3
• Polarizability: 43.729507 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.49
• LOG S: -3.14
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 6