2-(pyrrolidin-1-yl)cyclohexan-1-ol

• ChemBase ID: 279434
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: N1(C2C(O)CCCC2)CCCC1
• Canonical SMILES: OC1CCCCC1N1CCCC1
• InChI: InChI=1S/C10H19NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h9-10,12H,1-8H2
• InChIKey: QPIDLIAAUJBCSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-yl)cyclohexan-1-ol
• IUPAC Traditional name: 2-(pyrrolidin-1-yl)cyclohexan-1-ol
• Synonyms: 2-(pyrrolidin-1-yl)cyclohexan-1-ol

Database IDs

• MDL Number: MFCD09032665
• PubChem SID: 164335344
• PubChem CID: 11988857

CALCULATED PROPERTIES

• Acid pKa: 14.597206
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1634092
• LogD (pH = 7.4): -1.5484656
• Log P: 1.3203338
• Molar Refractivity: 49.9048 cm^3
• Polarizability: 19.837076 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.559

Product Information

• Purity: 95%