4-[1-(2,2-dimethylpropyl)piperidin-4-yl]thiomorpholine

• ChemBase ID: 614029
• Molecular Formular: C14H28N2S
• Molecular Mass: 256.45052
• Monoisotopic Mass: 256.19731991
• SMILES: N1(C2CCN(CC(C)(C)C)CC2)CCSCC1
• Canonical SMILES: CC(CN1CCC(CC1)N1CCSCC1)(C)C
• InChI: InChI=1S/C14H28N2S/c1-14(2,3)12-15-6-4-13(5-7-15)16-8-10-17-11-9-16/h13H,4-12H2,1-3H3
• InChIKey: AMKXGUVXQYVPDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.9869306
• LogD (pH = 7.4): -0.5006288
• Log P: 2.2004385
• Molar Refractivity: 78.9416 cm^3
• Polarizability: 31.199898 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.73
• LOG S: -2.39
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3