2-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N,N-dimethylaniline

• ChemBase ID: 500835
• Molecular Formular: C21H26N2O3
• Molecular Mass: 354.44274
• Monoisotopic Mass: 354.1943427
• SMILES: c1(C(=O)N2CCC(CC2)Oc2ccc(cc2)OC)c(N(C)C)cccc1
• Canonical SMILES: COc1ccc(cc1)OC1CCN(CC1)C(=O)c1ccccc1N(C)C
• InChI: InChI=1S/C21H26N2O3/c1-22(2)20-7-5-4-6-19(20)21(24)23-14-12-18(13-15-23)26-17-10-8-16(25-3)9-11-17/h4-11,18H,12-15H2,1-3H3
• InChIKey: JAZWAJNWFZJDNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N,N-dimethylaniline
• IUPAC Traditional name: 2-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N,N-dimethylaniline
• Synonyms: (2-{[4-(4-methoxyphenoxy)-1-piperidinyl]carbonyl}phenyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8734868
• LogD (pH = 7.4): 2.873818
• Log P: 2.873822
• Molar Refractivity: 103.8058 cm^3
• Polarizability: 39.24883 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -3.93
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5