4-(2-{1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl}ethyl)morpholine

• ChemBase ID: 362019
• Molecular Formular: C19H29ClN2O2
• Molecular Mass: 352.89876
• Monoisotopic Mass: 352.19175586
• SMILES: N1(Cc2cc(c(cc2)OC)Cl)C(CCN2CCOCC2)CCCC1
• Canonical SMILES: COc1ccc(cc1Cl)CN1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C19H29ClN2O2/c1-23-19-6-5-16(14-18(19)20)15-22-8-3-2-4-17(22)7-9-21-10-12-24-13-11-21/h5-6,14,17H,2-4,7-13,15H2,1H3
• InChIKey: QUZRNFUMHZLSTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(2-{1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl}ethyl)morpholine
• Synonyms: 4-{2-[1-(3-chloro-4-methoxybenzyl)-2-piperidinyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.4801399
• LogD (pH = 7.4): 1.8844361
• Log P: 3.131253
• Molar Refractivity: 99.6399 cm^3
• Polarizability: 39.110874 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.92
• LOG S: -3.26
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6