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

• ChemBase ID: 488774
• Molecular Formular: C16H26N2OS
• Molecular Mass: 294.45544
• Monoisotopic Mass: 294.17658446
• SMILES: N1(Cc2sccc2)C(CCN2CCOCC2)CCCC1
• Canonical SMILES: O1CCN(CC1)CCC1CCCCN1Cc1cccs1
• InChI: InChI=1S/C16H26N2OS/c1-2-7-18(14-16-5-3-13-20-16)15(4-1)6-8-17-9-11-19-12-10-17/h3,5,13,15H,1-2,4,6-12,14H2
• InChIKey: HKAWEEVFWZZFJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4174693
• LogD (pH = 7.4): 0.3324631
• Log P: 2.597761
• Molar Refractivity: 85.2618 cm^3
• Polarizability: 33.362476 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