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

• ChemBase ID: 57411
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: N1([C@H]2[C@H](O)CCCC2)CCCC1
• Canonical SMILES: O[C@@H]1CCCC[C@H]1N1CCCC1
• InChI: InChI=1S/C10H19NO/c12-10-6-2-1-5-9(10)11-7-3-4-8-11/h9-10,12H,1-8H2/t9-,10-/m1/s1
• InChIKey: QPIDLIAAUJBCSD-NXEZZACHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-(pyrrolidin-1-yl)cyclohexan-1-ol
• IUPAC Traditional name: (1R,2R)-2-(pyrrolidin-1-yl)cyclohexan-1-ol
• Synonyms: trans-2-Pyrrolidin-1-ylcyclohexanol

Database IDs

• CAS Number: 14909-81-0
• MDL Number: MFCD19103253
• PubChem SID: 162062174
• PubChem CID: 10103566

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false