(1-ethylpiperidin-2-yl)methanol

• ChemBase ID: 241617
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1(C(CO)CCCC1)CC
• Canonical SMILES: CCN1CCCCC1CO
• InChI: InChI=1S/C8H17NO/c1-2-9-6-4-3-5-8(9)7-10/h8,10H,2-7H2,1H3
• InChIKey: QDCVURQLJNIQBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylpiperidin-2-yl)methanol
• IUPAC Traditional name: (1-ethylpiperidin-2-yl)methanol
• Synonyms: (1-ethylpiperidin-2-yl)methanol; (1-ethyl-2-piperidinyl)methanol

Database IDs

• CAS Number: 30727-20-9
• MDL Number: MFCD11974861
• PubChem SID: 164297527
• PubChem CID: 21702825

CALCULATED PROPERTIES

• Acid pKa: 15.1127825
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6620693
• LogD (pH = 7.4): -1.5489197
• Log P: 0.7670086
• Molar Refractivity: 42.8412 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.325

Product Information

• Purity: 95%