5-cyclohexylpyrrolidin-3-ol

• ChemBase ID: 274912
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: N1C(CC(C1)O)C1CCCCC1
• Canonical SMILES: OC1CNC(C1)C1CCCCC1
• InChI: InChI=1S/C10H19NO/c12-9-6-10(11-7-9)8-4-2-1-3-5-8/h8-12H,1-7H2
• InChIKey: NWRDUJHOJAABBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclohexylpyrrolidin-3-ol
• IUPAC Traditional name: 5-cyclohexylpyrrolidin-3-ol
• Synonyms: 5-cyclohexylpyrrolidin-3-ol

Database IDs

• MDL Number: MFCD18839018
• PubChem SID: 164330822
• PubChem CID: 54593424

CALCULATED PROPERTIES

• Acid pKa: 14.848506
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0001948
• LogD (pH = 7.4): -1.8358548
• Log P: 1.2392718
• Molar Refractivity: 48.9675 cm^3
• Polarizability: 19.837076 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.623

Product Information

• Purity: 95%