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

• ChemBase ID: 837607
• Molecular Formular: C20H23ClN2O2
• Molecular Mass: 358.86182
• Monoisotopic Mass: 358.14480567
• SMILES: c1(C(=O)N2CCC(Oc3c(Cl)cccc3)CC2)c(N(C)C)cccc1
• Canonical SMILES: Clc1ccccc1OC1CCN(CC1)C(=O)c1ccccc1N(C)C
• InChI: InChI=1S/C20H23ClN2O2/c1-22(2)18-9-5-3-7-16(18)20(24)23-13-11-15(12-14-23)25-19-10-6-4-8-17(19)21/h3-10,15H,11-14H2,1-2H3
• InChIKey: IWHJWMORNDTLBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6352026
• LogD (pH = 7.4): 3.6355338
• Log P: 3.635538
• Molar Refractivity: 102.1474 cm^3
• Polarizability: 38.617317 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.09
• LOG S: -4.46
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4