[1-(2H3)methylpiperidin-2-yl](2H2)methanol

• ChemBase ID: 174075
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1CN(C(CC1)CO)C
• Canonical SMILES: OCC1CCCCN1C
• InChI: InChI=1S/C7H15NO/c1-8-5-3-2-4-7(8)6-9/h7,9H,2-6H2,1H3
• InChIKey: HXXJMMLIEYAFOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(^2H₃)methylpiperidin-2-yl](^2H₂)methanol
• IUPAC Traditional name: [1-(^2H₃)methylpiperidin-2-yl](^2H₂)methanol
• Synonyms: 2-Hydroxymethyl-N-methylpiperidine-d5; NSC 45464-d5; N-Methyl-2-piperidinemethanol-d5; (1-Methyl-2-piperidyl)methanol-d5; (1-Methylpiperidin-2-yl)methanol-d5; (±)-2-Hydroxymethyl-1-methylpiperidine-d5; 1-Methyl-2-piperidinemethanol-d5; 2-Hydroxymethyl-1-methylpiperidine-d5

Database IDs

• PubChem SID: 164229985
• PubChem CID: 71750509

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

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Colorless Oil

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - M324822

Can be used in the preparation of substances for treatment of dermatological conditions and skin protection.