(1S)-1-(1-methylpiperidin-4-yl)ethan-1-ol

• ChemBase ID: 281774
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(CCC(CC1)[C@@H](O)C)C
• Canonical SMILES: CN1CCC(CC1)[C@@H](O)C
• InChI: InChI=1S/C8H17NO/c1-7(10)8-3-5-9(2)6-4-8/h7-8,10H,3-6H2,1-2H3/t7-/m0/s1
• InChIKey: HLAGCVGLYKTXMD-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(1-methylpiperidin-4-yl)ethan-1-ol
• IUPAC Traditional name: (1S)-1-(1-methylpiperidin-4-yl)ethanol
• Synonyms: (1S)-1-(1-methylpiperidin-4-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD14705951
• PubChem SID: 180667305
• PubChem CID: 47003493

CALCULATED PROPERTIES

• Acid pKa: 15.265404
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8252957
• LogD (pH = 7.4): -1.2411983
• Log P: 0.38540483
• Molar Refractivity: 42.9492 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.052

Product Information

• Purity: 95%