(4-ethylpiperidin-4-yl)methanol

• ChemBase ID: 245100
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CCC(CO)(CC)CC1
• Canonical SMILES: CCC1(CO)CCNCC1
• InChI: InChI=1S/C8H17NO/c1-2-8(7-10)3-5-9-6-4-8/h9-10H,2-7H2,1H3
• InChIKey: GDDYZIOQRPFFAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethylpiperidin-4-yl)methanol
• IUPAC Traditional name: (4-ethylpiperidin-4-yl)methanol
• Synonyms: (4-ethylpiperidin-4-yl)methanol; (4-ethyl-4-piperidinyl)methanol

Database IDs

• CAS Number: 1256643-15-8
• MDL Number: MFCD16250769
• PubChem SID: 164301010
• PubChem CID: 51072178

CALCULATED PROPERTIES

• Acid pKa: 15.106261
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.811502
• LogD (pH = 7.4): -2.1218555
• Log P: 0.4083514
• Molar Refractivity: 42.2348 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 0.515

Product Information

• Purity: 95%