4-[5-chloro-2-(piperidine-1-carbonyl)phenoxy]-1-propylpiperidine

• ChemBase ID: 768605
• Molecular Formular: C20H29ClN2O2
• Molecular Mass: 364.90946
• Monoisotopic Mass: 364.19175586
• SMILES: c1(C(=O)N2CCCCC2)c(cc(cc1)Cl)OC1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)Oc1cc(Cl)ccc1C(=O)N1CCCCC1
• InChI: InChI=1S/C20H29ClN2O2/c1-2-10-22-13-8-17(9-14-22)25-19-15-16(21)6-7-18(19)20(24)23-11-4-3-5-12-23/h6-7,15,17H,2-5,8-14H2,1H3
• InChIKey: BWLFMBNMVTYOKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-chloro-2-(piperidine-1-carbonyl)phenoxy]-1-propylpiperidine
• IUPAC Traditional name: 4-[5-chloro-2-(piperidine-1-carbonyl)phenoxy]-1-propylpiperidine
• Synonyms: 4-[5-chloro-2-(piperidin-1-ylcarbonyl)phenoxy]-1-propylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.27778807
• LogD (pH = 7.4): 1.8754205
• Log P: 3.4741142
• Molar Refractivity: 103.0635 cm^3
• Polarizability: 39.719204 Å^3
• Polar Surface Area: 32.78 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: 4.15
• LOG S: -5.41
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5