(3-ethylpiperidin-3-yl)methanol

• ChemBase ID: 307566
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1(CNCCC1)(CO)CC
• Canonical SMILES: CCC1(CO)CCCNC1
• InChI: InChI=1S/C8H17NO/c1-2-8(7-10)4-3-5-9-6-8/h9-10H,2-7H2,1H3
• InChIKey: XLRLUGYPWYNJGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethylpiperidin-3-yl)methanol
• IUPAC Traditional name: (3-ethylpiperidin-3-yl)methanol
• Synonyms: (3-ethylpiperidin-3-yl)methanol

Database IDs

• CAS Number: 7033-84-3
• MDL Number: MFCD08691610

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6474037
• LogD (pH = 7.4): -1.8495734
• Log P: 0.5642589
• Molar Refractivity: 42.0808 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2