[(2S)-1-methylpiperidin-2-yl]methanol

• ChemBase ID: 290105
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: OC[C@H]1N(C)CCCC1
• Canonical SMILES: OC[C@@H]1CCCCN1C
• InChI: InChI=1S/C7H15NO/c1-8-5-3-2-4-7(8)6-9/h7,9H,2-6H2,1H3/t7-/m0/s1
• InChIKey: HXXJMMLIEYAFOZ-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-1-methylpiperidin-2-yl]methanol
• IUPAC Traditional name: [(2S)-1-methylpiperidin-2-yl]methanol
• Synonyms: (S)-(1-Methylpiperidin-2-yl)methanol

Database IDs

• CAS Number: 136030-04-1
• PubChem SID: 180675636
• PubChem CID: 853003

CALCULATED PROPERTIES

• Acid pKa: 15.113306
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9638376
• LogD (pH = 7.4): -1.646488
• Log P: 0.41020066
• Molar Refractivity: 38.0926 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%