4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine

• ChemBase ID: 692127
• Molecular Formular: C15H30N2S
• Molecular Mass: 270.4771
• Monoisotopic Mass: 270.21296997
• SMILES: N1(C2CCN(CC2)CC(CC)CC)CCSCC1
• Canonical SMILES: CCC(CN1CCC(CC1)N1CCSCC1)CC
• InChI: InChI=1S/C15H30N2S/c1-3-14(4-2)13-16-7-5-15(6-8-16)17-9-11-18-12-10-17/h14-15H,3-13H2,1-2H3
• InChIKey: YGEFNRBLVXSIIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine
• IUPAC Traditional name: 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine
• Synonyms: 4-[1-(2-ethylbutyl)-4-piperidinyl]thiomorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.591297
• LogD (pH = 7.4): -0.38591558
• Log P: 2.7115748
• Molar Refractivity: 83.7455 cm^3
• Polarizability: 33.04589 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.38
• LOG S: -3.06
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5