N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine

• ChemBase ID: 481264
• Molecular Formular: C18H29FN2O2
• Molecular Mass: 324.4334632
• Monoisotopic Mass: 324.2213064
• SMILES: N(C1CCN(CC1)C)(Cc1cc(c(cc1)OC)F)CCCOC
• Canonical SMILES: COCCCN(C1CCN(CC1)C)Cc1ccc(c(c1)F)OC
• InChI: InChI=1S/C18H29FN2O2/c1-20-10-7-16(8-11-20)21(9-4-12-22-2)14-15-5-6-18(23-3)17(19)13-15/h5-6,13,16H,4,7-12,14H2,1-3H3
• InChIKey: OTLBCWGXJHTZRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
• IUPAC Traditional name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
• Synonyms: N-(3-fluoro-4-methoxybenzyl)-N-(3-methoxypropyl)-1-methyl-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): -3.0316374
• LogD (pH = 7.4): -0.58217293
• Log P: 1.9394636
• Molar Refractivity: 92.6403 cm^3
• Polarizability: 35.766796 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.72
• LOG S: -2.88
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8
• H Acceptors: 4