2-methyl-5-(piperidin-3-ylmethoxy)pyridine

• ChemBase ID: 20717
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: n1c(ccc(OCC2CNCCC2)c1)C
• Canonical SMILES: Cc1ccc(cn1)OCC1CCCNC1
• InChI: InChI=1S/C12H18N2O/c1-10-4-5-12(8-14-10)15-9-11-3-2-6-13-7-11/h4-5,8,11,13H,2-3,6-7,9H2,1H3
• InChIKey: VGGVMJBXDMMNCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(piperidin-3-ylmethoxy)pyridine
• IUPAC Traditional name: 2-methyl-5-(piperidin-3-ylmethoxy)pyridine
• Synonyms: 2-Methyl-5-(3-piperidinylmethoxy)pyridine

Database IDs

• MDL Number: MFCD08688364
• PubChem SID: 160984024
• PubChem CID: 45075342

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.562817
• LogD (pH = 7.4): -1.6927066
• Log P: 0.87518793
• Molar Refractivity: 59.8314 cm^3
• Polarizability: 23.720303 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false