[(3R)-1-methylpiperidin-3-yl]methanol

• ChemBase ID: 77794
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1(CCC[C@H](C1)CO)C
• Canonical SMILES: OC[C@@H]1CCCN(C1)C
• InChI: InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3/t7-/m1/s1
• InChIKey: UGXQXVDTGJCQHR-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3R)-1-methylpiperidin-3-yl]methanol
• IUPAC Traditional name: [(3R)-1-methylpiperidin-3-yl]methanol
• Synonyms: [(R)-1-Methylpiperidin-3-yl]methanol; (R)-1-Methyl-3-(hydroxymethyl)piperidine

Database IDs

• CAS Number: 205194-11-2
• PubChem SID: 162042659
• PubChem CID: 920113

CALCULATED PROPERTIES

• Acid pKa: 15.43148
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3373482
• LogD (pH = 7.4): -1.9548533
• Log P: 0.010386534
• Molar Refractivity: 38.4316 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant