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

• ChemBase ID: 451128
• Molecular Formular: C16H26N2OS
• Molecular Mass: 294.45544
• Monoisotopic Mass: 294.17658446
• SMILES: N1(C(C2CCN(Cc3cscc3)CC2)C)CCOCC1
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)Cc1cscc1
• InChI: InChI=1S/C16H26N2OS/c1-14(18-7-9-19-10-8-18)16-2-5-17(6-3-16)12-15-4-11-20-13-15/h4,11,13-14,16H,2-3,5-10,12H2,1H3
• InChIKey: BGWODXCSHSBXBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.2362099
• LogD (pH = 7.4): 0.12324529
• Log P: 2.380566
• Molar Refractivity: 85.4689 cm^3
• Polarizability: 33.359814 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.99
• LOG S: -2.04
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4