octahydro-2H-pyrano[3,2-c]pyridine

• ChemBase ID: 239532
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N1CC2C(OCCC2)CC1
• Canonical SMILES: C1COC2C(C1)CNCC2
• InChI: InChI=1S/C8H15NO/c1-2-7-6-9-4-3-8(7)10-5-1/h7-9H,1-6H2
• InChIKey: QVUHVUAMDYNYRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydro-2H-pyrano[3,2-c]pyridine
• IUPAC Traditional name: octahydro-2H-pyrano[3,2-c]pyridine
• Synonyms: octahydro-2H-pyrano[3,2-c]pyridine

Database IDs

• MDL Number: MFCD18073359
• PubChem SID: 164295442
• PubChem CID: 15557571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0075092
• LogD (pH = 7.4): -2.4271204
• Log P: 0.21866697
• Molar Refractivity: 40.4547 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.32

Product Information

• Purity: 95%