1-[(2,6-dimethoxyphenyl)methyl]-3-(3-methoxypropyl)piperidine

• ChemBase ID: 739916
• Molecular Formular: C18H29NO3
• Molecular Mass: 307.42776
• Monoisotopic Mass: 307.21474379
• SMILES: c1(CN2CC(CCC2)CCCOC)c(OC)cccc1OC
• Canonical SMILES: COCCCC1CCCN(C1)Cc1c(OC)cccc1OC
• InChI: InChI=1S/C18H29NO3/c1-20-12-6-8-15-7-5-11-19(13-15)14-16-17(21-2)9-4-10-18(16)22-3/h4,9-10,15H,5-8,11-14H2,1-3H3
• InChIKey: PFDKNDSGYWAPMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2,6-dimethoxyphenyl)methyl]-3-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 1-[(2,6-dimethoxyphenyl)methyl]-3-(3-methoxypropyl)piperidine
• Synonyms: 1-(2,6-dimethoxybenzyl)-3-(3-methoxypropyl)piperidine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.65
• LOG S: -2.7
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 8
• H Acceptors: 4

JChem

• LogD (pH = 5.5): 0.06037043
• LogD (pH = 7.4): 1.8165665
• Log P: 2.9102242
• Molar Refractivity: 90.0226 cm^3
• Polarizability: 35.2661 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0