(2-methoxyethyl)({2-phenyl-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]ethyl})(pyridin-3-ylmethyl)amine

• ChemBase ID: 739893
• Molecular Formular: C27H35N3OS
• Molecular Mass: 449.6513
• Monoisotopic Mass: 449.25008376
• SMILES: N(C(C1CCN(Cc2sccc2)CC1)Cc1ccccc1)(Cc1cnccc1)CCOC
• Canonical SMILES: COCCN(C(C1CCN(CC1)Cc1cccs1)Cc1ccccc1)Cc1cccnc1
• InChI: InChI=1S/C27H35N3OS/c1-31-17-16-30(21-24-9-5-13-28-20-24)27(19-23-7-3-2-4-8-23)25-11-14-29(15-12-25)22-26-10-6-18-32-26/h2-10,13,18,20,25,27H,11-12,14-17,19,21-22H2,1H3
• InChIKey: LDMGSLSNKFDLLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)({2-phenyl-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]ethyl})(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)({2-phenyl-1-[1-(thiophen-2-ylmethyl)piperidin-4-yl]ethyl})(pyridin-3-ylmethyl)amine
• Synonyms: (2-methoxyethyl){2-phenyl-1-[1-(2-thienylmethyl)-4-piperidinyl]ethyl}(3-pyridinylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7974635
• LogD (pH = 7.4): 0.9628855
• Log P: 4.847657
• Molar Refractivity: 134.2967 cm^3
• Polarizability: 52.327793 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.57
• LOG S: -3.08
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 10