(1R)-1-[(2S)-piperidin-2-yl]propan-1-ol

• ChemBase ID: 126680
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: O[C@H](CC)[C@H]1NCCCC1
• Canonical SMILES: CC[C@H]([C@@H]1CCCCN1)O
• InChI: InChI=1S/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3/t7-,8+/m0/s1
• InChIKey: VCCAAURNBULZRR-JGVFFNPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-[(2S)-piperidin-2-yl]propan-1-ol
• IUPAC Traditional name: conhydrine
• Synonyms: Conhydrine

Database IDs

• PubChem SID: 162221010
• PubChem CID: 11744748
• Chemspider ID: 9919452
• Wikipedia Title: Conhydrine

CALCULATED PROPERTIES

• Acid pKa: 14.613637
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2516048
• LogD (pH = 7.4): -1.532756
• Log P: 0.9662501
• Molar Refractivity: 41.7407 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

• Solubility: good in chloroform; good in ethanol; moderate in diethylether; moderate in water
• Melting Point: 121°C
• Boiling Point: 226°C
• Optical Rotation: +10° (natural)