4-(piperidin-4-yl)thiomorpholine dihydrochloride

• ChemBase ID: 144057
• Molecular Formular: C9H20Cl2N2S
• Molecular Mass: 259.2395
• Monoisotopic Mass: 258.07242501
• SMILES: C1CNCCC1N1CCSCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)N1CCSCC1.Cl.Cl
• InChI: InChI=1S/C9H18N2S.2ClH/c1-3-10-4-2-9(1)11-5-7-12-8-6-11;;/h9-10H,1-8H2;2*1H
• InChIKey: YMSBZGPCGQNCMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13186033
• PubChem SID: 162238274
• PubChem CID: 47000644

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
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H20Cl2N2S

DETAILS

Sigma Aldrich - CBR00624

Other Notes
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Legal Information
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