4-{2-[1-(thiophen-3-ylmethyl)piperidin-2-yl]ethyl}morpholine

• ChemBase ID: 387838
• Molecular Formular: C16H26N2OS
• Molecular Mass: 294.45544
• Monoisotopic Mass: 294.17658446
• SMILES: N1(Cc2cscc2)C(CCN2CCOCC2)CCCC1
• Canonical SMILES: O1CCN(CC1)CCC1CCCCN1Cc1cscc1
• InChI: InChI=1S/C16H26N2OS/c1-2-6-18(13-15-5-12-20-14-15)16(3-1)4-7-17-8-10-19-11-9-17/h5,12,14,16H,1-4,6-11,13H2
• InChIKey: OFRSLNMWKUAHLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5248065
• LogD (pH = 7.4): 0.42510483
• Log P: 2.4653215
• Molar Refractivity: 85.4777 cm^3
• Polarizability: 33.359814 Å^3
• Polar Surface Area: 15.71 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: 2.14
• LOG S: -2.17
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5