[2-({1-[1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl}oxy)ethyl]dimethylamine

• ChemBase ID: 519645
• Molecular Formular: C22H34N2O3
• Molecular Mass: 374.51696
• Monoisotopic Mass: 374.25694296
• SMILES: C1(C(C1)(C)C)(C(=O)N1CCC(CC1)OCCN(C)C)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1(CC1(C)C)C(=O)N1CCC(CC1)OCCN(C)C
• InChI: InChI=1S/C22H34N2O3/c1-21(2)16-22(21,17-6-8-18(26-5)9-7-17)20(25)24-12-10-19(11-13-24)27-15-14-23(3)4/h6-9,19H,10-16H2,1-5H3
• InChIKey: BAWHJVDRPKDJQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-({1-[1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl}oxy)ethyl]dimethylamine
• IUPAC Traditional name: [2-({1-[1-(4-methoxyphenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl}oxy)ethyl]dimethylamine
• Synonyms: 2-[(1-{[1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]carbonyl}piperidin-4-yl)oxy]-N,N-dimethylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8331234
• LogD (pH = 7.4): 0.8169103
• Log P: 2.295904
• Molar Refractivity: 108.236 cm^3
• Polarizability: 42.43508 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.17
• LOG S: -3.78
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7