{1-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxypropyl)piperidin-3-yl}methanol

• ChemBase ID: 620342
• Molecular Formular: C18H28ClNO3
• Molecular Mass: 341.87282
• Monoisotopic Mass: 341.17577144
• SMILES: N1(CC(CO)(CCC1)CCCOC)CCOc1ccc(Cl)cc1
• Canonical SMILES: COCCCC1(CO)CCCN(C1)CCOc1ccc(cc1)Cl
• InChI: InChI=1S/C18H28ClNO3/c1-22-12-3-9-18(15-21)8-2-10-20(14-18)11-13-23-17-6-4-16(19)5-7-17/h4-7,21H,2-3,8-15H2,1H3
• InChIKey: GJWDLXOVSUFXDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxypropyl)piperidin-3-yl}methanol
• IUPAC Traditional name: {1-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxypropyl)piperidin-3-yl}methanol
• Synonyms: [1-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxypropyl)-3-piperidinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.071161
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.08625311
• LogD (pH = 7.4): 1.6511363
• Log P: 2.8464177
• Molar Refractivity: 94.0134 cm^3
• Polarizability: 37.07354 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.85
• LOG S: -3.12
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 9