4-(piperidin-4-yl)thiomorpholine

• ChemBase ID: 306810
• Molecular Formular: C9H18N2S
• Molecular Mass: 186.31762
• Monoisotopic Mass: 186.11906959
• SMILES: N1(C2CCNCC2)CCSCC1
• Canonical SMILES: N1CCC(CC1)N1CCSCC1
• InChI: InChI=1S/C9H18N2S/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h9-10H,1-8H2
• InChIKey: SBNUKGVQXYBWLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yl)thiomorpholine
• IUPAC Traditional name: 4-(piperidin-4-yl)thiomorpholine
• Synonyms: 4-piperidin-4-ylthiomorpholine

Database IDs

• MDL Number: MFCD09055242

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.088962
• LogD (pH = 7.4): -2.9244664
• Log P: 0.19508642
• Molar Refractivity: 55.5046 cm^3
• Polarizability: 21.972387 Å^3
• Polar Surface Area: 15.27 Å^2